N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide

C23H27Cl2N3O — CID 18734478

IUPACN-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
SMILESCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H27Cl2N3O/c1-3-5-13-27(23(29)18-15-17(24)11-12-19(18)25)16-22-26-20-9-7-8-10-21(20)28(22)14-6-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyKCVLHOOGPPMLIJ-UHFFFAOYSA-N
MW432.40 g/mol
LogP6.59
Rot. Bonds9

About N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide

N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide (PubChem CID 18734478) has the molecular formula C23H27Cl2N3O and a molecular weight of 432.40 g/mol. Its IUPAC name is N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
PubChem CID18734478
Molecular FormulaC23H27Cl2N3O
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC NameN-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
SMILESCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H27Cl2N3O/c1-3-5-13-27(23(29)18-15-17(24)11-12-19(18)25)16-22-26-20-9-7-8-10-21(20)28(22)14-6-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyKCVLHOOGPPMLIJ-UHFFFAOYSA-N
XLogP6.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide 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
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
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]benzamide
CID 18734535
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732504
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide?
The IUPAC name of N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide (CID 18734478) is N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide is CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide?
The InChIKey is KCVLHOOGPPMLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O/c1-3-5-13-27(23(29)18-15-17(24)11-12-19(18)25)16-22-26-20-9-7-8-10-21(20)28(22)14-6-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3.
What are the key properties of N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide?
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide has a molecular weight of 432.40 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 18734478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).