5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide

C20H17N3O2S — CID 25190911

IUPAC5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide
SMILESCc1ccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)cc1
InChIInChI=1S/C20H17N3O2S/c1-13-6-8-14(9-7-13)11-25-17-10-18(26-19(17)20(21)24)23-12-22-15-4-2-3-5-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyLGVVNIMZHUYDAQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.07
Rot. Bonds5

About 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide

5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide (PubChem CID 25190911) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide
PubChem CID25190911
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide
SMILESCc1ccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)cc1
InChIInChI=1S/C20H17N3O2S/c1-13-6-8-14(9-7-13)11-25-17-10-18(26-19(17)20(21)24)23-12-22-15-4-2-3-5-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyLGVVNIMZHUYDAQ-UHFFFAOYSA-N
XLogP4.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
CID 15983966
5-(5,6-Bis(methyloxy)-1H-benzimidazol-1-YL)-3-((1-(2-chlorophenyl)ethyl)oxy)-2-thiophenecarboxamide
CID 11957417
GW843682X
CID 9826308
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263118
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263120
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethoxy)phenyl]methoxy}thiophene-2-carboxamide
CID 9983158
5-(6-methanesulfonyl-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10074495
5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10253033
3-[(2-bromophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 10254917
5-(1H-Benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
CID 10409707
5-(1H-Benzimidazol-1-yl)-3-[(phenylmethyl)oxy]-2-thiophenecarbonitrile
CID 11709714
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 11743086

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide (CID 25190911) is 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide is Cc1ccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)cc1.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide?
The InChIKey is LGVVNIMZHUYDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-6-8-14(9-7-13)11-25-17-10-18(26-19(17)20(21)24)23-12-22-15-4-2-3-5-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24).
What are the key properties of 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide?
5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 25190911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).