Molecules/3-[2-[5-[4-(4-aminobutyl)-3-methyltriazol-1-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]-1H-imidazol-2-one
3-[2-[5-[4-(4-aminobutyl)-3-methyltriazol-1-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]-1H-imidazol-2-one
3-[2-[5-[4-(4-aminobutyl)-3-methyltriazol-1-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]-1H-imidazol-2-one
Molecular Identity
3-[2-[5-[4-(4-aminobutyl)-3-methyltriazol-1-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]-1H-imidazol-2-one
3-[2-[5-[4-(4-aminobutyl)-3-methyltriazol-1-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]-1H-imidazol-2-one
PubChem CID: 154815567
2D Structure
Properties
C29H34N7O2S+
Molecular Formula
544.70
Molecular Weight
g/mol
544.2495
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
798
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=C[N+](=N1)C2=CC(=C(C=C2)C3=NC(=CS3)CCC4=CC=CC=C4)OCCN5C=CNC5=O)CCCCNIsomeric SMILES
SMILES: CN1C(=C[N+](=N1)C2=CC(=C(C=C2)C3=NC(=CS3)CCC4=CC=CC=C4)OCCN5C=CNC5=O)CCCCNSynonyms(1)
MWT
Data from PubChem (NCBI)
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Molecular Structure
3-[2-[5-[4-(4-aminobutyl)-3-methyltriazol-1-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]-1H-imidazol-2-one
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Drug Network
Trials and conditions connected to 3-[2-[5-[4-(4-aminobutyl)-3-methyltriazol-1-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]-1H-imidazol-2-one
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