N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide

C17H17N3O — CID 6487086

IUPACN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O/c1-12(21)18-14-9-6-13(7-10-14)8-11-17-19-15-4-2-3-5-16(15)20-17/h2-7,9-10H,8,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyJDEHEEZRDBLNQI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.31
Rot. Bonds4

About N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide (PubChem CID 6487086) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
PubChem CID6487086
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O/c1-12(21)18-14-9-6-13(7-10-14)8-11-17-19-15-4-2-3-5-16(15)20-17/h2-7,9-10H,8,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyJDEHEEZRDBLNQI-UHFFFAOYSA-N
XLogP3.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Glasdegib
CID 25166913
Parbendazole
CID 26596
Bendazol
CID 12132
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
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
2-tert-Butylbenzimidazole
CID 32366

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide (CID 6487086) is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide?
The InChIKey is JDEHEEZRDBLNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(21)18-14-9-6-13(7-10-14)8-11-17-19-15-4-2-3-5-16(15)20-17/h2-7,9-10H,8,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide?
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 6487086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).