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

C22H26ClN3O — CID 18734535

IUPACN-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1
InChIInChI=1S/C22H26ClN3O/c1-3-5-14-25(22(27)17-9-7-6-8-10-17)16-21-24-19-12-11-18(23)15-20(19)26(21)13-4-2/h6-12,15H,3-5,13-14,16H2,1-2H3
InChIKeyCJPXZBRAPCGRBO-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.54
Rot. Bonds8

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

N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 18734535) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID18734535
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC NameN-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1
InChIInChI=1S/C22H26ClN3O/c1-3-5-14-25(22(27)17-9-7-6-8-10-17)16-21-24-19-12-11-18(23)15-20(19)26(21)13-4-2/h6-12,15H,3-5,13-14,16H2,1-2H3
InChIKeyCJPXZBRAPCGRBO-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

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Related Compounds

N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
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
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]-2,3,6-trifluorobenzamide
CID 18734522
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide
CID 18733972
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732852

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide (CID 18734535) is N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide is CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is CJPXZBRAPCGRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-3-5-14-25(22(27)17-9-7-6-8-10-17)16-21-24-19-12-11-18(23)15-20(19)26(21)13-4-2/h6-12,15H,3-5,13-14,16H2,1-2H3.
What are the key properties of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide?
N-butyl-N-[(6-chloro-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-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 18734535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).