N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C18H16ClN3O2S — CID 29110340

IUPACN-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(SC)n1-c1ccccc1
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-9-8-12(19)10-14(16)21-17(23)15-11-20-18(25-2)22(15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,23)
InChIKeyXCOWLXPKOJQMMM-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.51
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 29110340) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID29110340
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(SC)n1-c1ccccc1
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-9-8-12(19)10-14(16)21-17(23)15-11-20-18(25-2)22(15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,23)
InChIKeyXCOWLXPKOJQMMM-UHFFFAOYSA-N
XLogP4.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 31491681
N-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 16548329
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892594
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 30035073
6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30858986
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 29110340) is N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc(SC)n1-c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is XCOWLXPKOJQMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-16-9-8-12(19)10-14(16)21-17(23)15-11-20-18(25-2)22(15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 29110340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).