Ins018_055
2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
Molecular Identity
Ins018_055
2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
PubChem CID: 164938183
2D Structure
Properties
C27H30FN7O
Molecular Formula
487.60
Molecular Weight
g/mol
487.2496
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
82.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
717
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N1C=NC(=C1C2=NC=C(N2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C)C5=CC=C(C=C5)FIsomeric SMILES
SMILES: CC(C)N1C=NC(=C1C2=NC=C(N2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C)C5=CC=C(C=C5)FSynonyms(20)
INS018_0552-(5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-1H-imidazole-5-carboxamide2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamideRefChem:1087390Rentosertib2828567-39-9TNIK&MAP4K4-IN-2Rentosertib (USAN)INS018 055INS-018_055RENTOSERTIB [USAN]5'-(4-Fluorophenyl)-3'-isopropyl-N-(4-(4-methylpiperazin-1-yl)phenyl)-1H,3'H-[2,4'-biimidazole]-5-carboxamiderentosertib [INN]INS018-055M9NU5G8WXY
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ins018_055
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