N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide

C22H25Cl2N3O — CID 18734409

IUPACN-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H25Cl2N3O/c1-3-5-13-26(22(28)17-8-6-7-9-18(17)24)15-21-25-19-11-10-16(23)14-20(19)27(21)12-4-2/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyIBARQIPZZPCTGH-UHFFFAOYSA-N
MW418.37 g/mol
LogP6.20
Rot. Bonds8

About N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide

N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 18734409) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID18734409
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC NameN-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H25Cl2N3O/c1-3-5-13-26(22(28)17-8-6-7-9-18(17)24)15-21-25-19-11-10-16(23)14-20(19)27(21)12-4-2/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyIBARQIPZZPCTGH-UHFFFAOYSA-N
XLogP6.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-chloro-N-[(6-chloro-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-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
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-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide (CID 18734409) is N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide is CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is IBARQIPZZPCTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-3-5-13-26(22(28)17-8-6-7-9-18(17)24)15-21-25-19-11-10-16(23)14-20(19)27(21)12-4-2/h6-11,14H,3-5,12-13,15H2,1-2H3.
What are the key properties of N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 418.37 g/mol, XLogP of 6.20, 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-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 18734409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).