Molecular Identity
Cimetidine
1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
PubChem CID: 2756
Cimetidine is a member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. It has a role as an analgesic, a H2-receptor antagonist, an anti-ulcer drug, a P450 inhibitor and an adjuvant. It is a nitrile, an aliphatic sulfide, a member of guanidines and a member of imidazoles.
2D Structure
Properties
C10H16N6S
Molecular Formula
252.34
Molecular Weight
g/mol
252.1157
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
296
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#NIsomeric SMILES
SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#NSynonyms(20)
cimetidine51481-61-9UlcedinEureceptorGastrometUlcimetAcinilUlcomedinaTametinCimalAcibilinCimetagDyspametEdaleneUlcedine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cimetidine
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