5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide

C16H17N3OS — CID 4731737

IUPAC5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C16H17N3OS/c1-10(2)17-16(20)14-9-8-13(21-14)15-18-11-6-4-5-7-12(11)19(15)3/h4-10H,1-3H3,(H,17,20)
InChIKeyOGCBSEKAJMBYAS-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.44
Rot. Bonds3

About 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide

5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 4731737) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID4731737
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C16H17N3OS/c1-10(2)17-16(20)14-9-8-13(21-14)15-18-11-6-4-5-7-12(11)19(15)3/h4-10H,1-3H3,(H,17,20)
InChIKeyOGCBSEKAJMBYAS-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
CID 13177411
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731778
5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
CID 4731758
5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731815
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4731716
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
CID 46395275
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 134050321
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide (CID 4731737) is 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)NC(=O)c1ccc(-c2nc3ccccc3n2C)s1.
What is the InChIKey of 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is OGCBSEKAJMBYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10(2)17-16(20)14-9-8-13(21-14)15-18-11-6-4-5-7-12(11)19(15)3/h4-10H,1-3H3,(H,17,20).
What are the key properties of 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide?
5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 4731737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).