N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C19H15N3OS — CID 868466

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H15N3OS/c23-18(12-15-4-3-11-24-15)20-14-9-7-13(8-10-14)19-21-16-5-1-2-6-17(16)22-19/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyPOXFYLKDULPRTF-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.47
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 868466) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID868466
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H15N3OS/c23-18(12-15-4-3-11-24-15)20-14-9-7-13(8-10-14)19-21-16-5-1-2-6-17(16)22-19/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyPOXFYLKDULPRTF-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
N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]hexanediamide
CID 483665
2-(1H-Benzimidazol-2-yl)-1-(2-thienyl)ethanone
CID 2392257
1,3-dimethyl-5-[4-(2-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581427

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 868466) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is POXFYLKDULPRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-18(12-15-4-3-11-24-15)20-14-9-7-13(8-10-14)19-21-16-5-1-2-6-17(16)22-19/h1-11H,12H2,(H,20,23)(H,21,22).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(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-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 868466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).