3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide

C14H13N3O3S — CID 75477079

IUPAC3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H13N3O3S/c1-20-11-4-5-21-12(11)13(18)15-7-8-2-3-9-10(6-8)17-14(19)16-9/h2-6H,7H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyIQCZVZFMHXSQLO-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.86
Rot. Bonds4

About 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide

3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 75477079) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID75477079
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H13N3O3S/c1-20-11-4-5-21-12(11)13(18)15-7-8-2-3-9-10(6-8)17-14(19)16-9/h2-6H,7H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyIQCZVZFMHXSQLO-UHFFFAOYSA-N
XLogP1.86
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxythiophene-2-carboxamide
CID 81122394
2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 75503782
N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 131937299
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide
CID 154851106
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide (CID 75477079) is 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide is COc1ccsc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is IQCZVZFMHXSQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-11-4-5-21-12(11)13(18)15-7-8-2-3-9-10(6-8)17-14(19)16-9/h2-6H,7H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75477079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).