2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide

C23H20ClN3O — CID 46328429

IUPAC2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCn1c(CCc2cccc(NC(=O)c3ccccc3Cl)c2)nc2ccccc21
InChIInChI=1S/C23H20ClN3O/c1-27-21-12-5-4-11-20(21)26-22(27)14-13-16-7-6-8-17(15-16)25-23(28)18-9-2-3-10-19(18)24/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyGDEQRVWCDJEHAT-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.26
Rot. Bonds5

About 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide

2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide (PubChem CID 46328429) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
PubChem CID46328429
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCn1c(CCc2cccc(NC(=O)c3ccccc3Cl)c2)nc2ccccc21
InChIInChI=1S/C23H20ClN3O/c1-27-21-12-5-4-11-20(21)26-22(27)14-13-16-7-6-8-17(15-16)25-23(28)18-9-2-3-10-19(18)24/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyGDEQRVWCDJEHAT-UHFFFAOYSA-N
XLogP5.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]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

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide (CID 46328429) is 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide is Cn1c(CCc2cccc(NC(=O)c3ccccc3Cl)c2)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The InChIKey is GDEQRVWCDJEHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-27-21-12-5-4-11-20(21)26-22(27)14-13-16-7-6-8-17(15-16)25-23(28)18-9-2-3-10-19(18)24/h2-12,15H,13-14H2,1H3,(H,25,28).
What are the key properties of 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide has a molecular weight of 389.89 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 46328429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).