N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C19H15N3OS — CID 889712

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H15N3OS/c23-18(12-15-7-4-10-24-15)20-14-6-3-5-13(11-14)19-21-16-8-1-2-9-17(16)22-19/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyAVQPSMBUPKXNHL-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.47
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 889712) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID889712
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H15N3OS/c23-18(12-15-7-4-10-24-15)20-14-6-3-5-13(11-14)19-21-16-8-1-2-9-17(16)22-19/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyAVQPSMBUPKXNHL-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-thienyl)-1H-benzimidazole
CID 506600
2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
N-[4-[6-(2-thenoylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 1160447
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581416
1,3-dimethyl-5-[4-phenyl-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581429
5-[4-(2-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581649
5-[4-(3-ethylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581658
5-[4-(3-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581659
5-[4-(4-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581670
6-fluoro-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348704
6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348705
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
CID 4233329

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 889712) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is AVQPSMBUPKXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-18(12-15-7-4-10-24-15)20-14-6-3-5-13(11-14)19-21-16-8-1-2-9-17(16)22-19/h1-11H,12H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 333.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 889712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).