N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide

C23H28ClN3O — CID 18733836

IUPACN-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide
SMILESCCc1ccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2CC)CC(C)C)cc1
InChIInChI=1S/C23H28ClN3O/c1-5-17-7-9-18(10-8-17)23(28)26(14-16(3)4)15-22-25-20-12-11-19(24)13-21(20)27(22)6-2/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyIGBKPEZGIAGAEU-UHFFFAOYSA-N
MW397.95 g/mol
LogP5.57
Rot. Bonds7

About N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide

N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide (PubChem CID 18733836) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide
PubChem CID18733836
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC NameN-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide
SMILESCCc1ccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2CC)CC(C)C)cc1
InChIInChI=1S/C23H28ClN3O/c1-5-17-7-9-18(10-8-17)23(28)26(14-16(3)4)15-22-25-20-12-11-19(24)13-21(20)27(22)6-2/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyIGBKPEZGIAGAEU-UHFFFAOYSA-N
XLogP5.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)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-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
CID 18733828
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide
CID 18733972
3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732823
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
CID 18733832
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 18734022
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide (CID 18733836) is N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide is CCc1ccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2CC)CC(C)C)cc1.
What is the InChIKey of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide?
The InChIKey is IGBKPEZGIAGAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-5-17-7-9-18(10-8-17)23(28)26(14-16(3)4)15-22-25-20-12-11-19(24)13-21(20)27(22)6-2/h7-13,16H,5-6,14-15H2,1-4H3.
What are the key properties of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide?
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide has a molecular weight of 397.95 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).