N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C22H26ClN3O — CID 18734407

IUPACN-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O/c1-3-5-15-25(22(27)17-10-6-7-11-18(17)23)16-21-24-19-12-8-9-13-20(19)26(21)14-4-2/h6-13H,3-5,14-16H2,1-2H3
InChIKeyFLOJLEMRSGIGRW-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.54
Rot. Bonds8

About N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 18734407) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID18734407
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC NameN-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O/c1-3-5-15-25(22(27)17-10-6-7-11-18(17)23)16-21-24-19-12-8-9-13-20(19)26(21)14-4-2/h6-13H,3-5,14-16H2,1-2H3
InChIKeyFLOJLEMRSGIGRW-UHFFFAOYSA-N
XLogP5.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]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-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 18734407) is N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1ccccc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is FLOJLEMRSGIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-3-5-15-25(22(27)17-10-6-7-11-18(17)23)16-21-24-19-12-8-9-13-20(19)26(21)14-4-2/h6-13H,3-5,14-16H2,1-2H3.
What are the key properties of N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 383.92 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 18734407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).