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

C15H13N3O — CID 809513

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H13N3O/c1-10(19)16-12-6-4-5-11(9-12)15-17-13-7-2-3-8-14(13)18-15/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyYPWHECVRDQMPJB-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.19
Rot. Bonds2

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

N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide (PubChem CID 809513) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]acetamide
PubChem CID809513
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H13N3O/c1-10(19)16-12-6-4-5-11(9-12)15-17-13-7-2-3-8-14(13)18-15/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyYPWHECVRDQMPJB-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Glasdegib
CID 25166913
Parbendazole
CID 26596
Bendazol
CID 12132
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
1-(1H-Benzimidazol-2-yl)ethanone
CID 70322
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
Pf-06305591
CID 71666749

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide (CID 809513) is N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide?
The InChIKey is YPWHECVRDQMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10(19)16-12-6-4-5-11(9-12)15-17-13-7-2-3-8-14(13)18-15/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 809513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).