3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide

C29H25N3O — CID 90040181

IUPAC3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C29H25N3O/c33-29(30-19-18-22-10-3-1-4-11-22)25-15-9-14-24(20-25)28-31-26-16-7-8-17-27(26)32(28)21-23-12-5-2-6-13-23/h1-17,20H,18-19,21H2,(H,30,33)
InChIKeyJJFBGCUSKKMDCR-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.72
Rot. Bonds7

About 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide

3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide (PubChem CID 90040181) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
PubChem CID90040181
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C29H25N3O/c33-29(30-19-18-22-10-3-1-4-11-22)25-15-9-14-24(20-25)28-31-26-16-7-8-17-27(26)32(28)21-23-12-5-2-6-13-23/h1-17,20H,18-19,21H2,(H,30,33)
InChIKeyJJFBGCUSKKMDCR-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide 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

1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide
CID 90040778
3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
CID 141496217
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964253
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide
CID 90040381

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide (CID 90040181) is 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1.
What is the InChIKey of 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is JJFBGCUSKKMDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O/c33-29(30-19-18-22-10-3-1-4-11-22)25-15-9-14-24(20-25)28-31-26-16-7-8-17-27(26)32(28)21-23-12-5-2-6-13-23/h1-17,20H,18-19,21H2,(H,30,33).
What are the key properties of 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide?
3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 431.54 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 90040181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).