2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide

C23H26Cl3N3O — CID 18732526

IUPAC2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H26Cl3N3O/c1-3-5-6-12-28(23(30)18-13-16(24)7-9-19(18)26)15-22-27-20-10-8-17(25)14-21(20)29(22)11-4-2/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyORXJDOMPYXAVSB-UHFFFAOYSA-N
MW466.84 g/mol
LogP7.24
Rot. Bonds9

About 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide

2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (PubChem CID 18732526) has the molecular formula C23H26Cl3N3O and a molecular weight of 466.84 g/mol. Its IUPAC name is 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
PubChem CID18732526
Molecular FormulaC23H26Cl3N3O
Molecular Weight466.84 g/mol
Exact Mass465.11
IUPAC Name2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H26Cl3N3O/c1-3-5-6-12-28(23(30)18-13-16(24)7-9-19(18)26)15-22-27-20-10-8-17(25)14-21(20)29(22)11-4-2/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyORXJDOMPYXAVSB-UHFFFAOYSA-N
XLogP7.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
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-fluorobenzamide
CID 18734526
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
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-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
CID 18732623

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The IUPAC name of 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (CID 18732526) is 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The canonical SMILES for 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is CCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The InChIKey is ORXJDOMPYXAVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl3N3O/c1-3-5-6-12-28(23(30)18-13-16(24)7-9-19(18)26)15-22-27-20-10-8-17(25)14-21(20)29(22)11-4-2/h7-10,13-14H,3-6,11-12,15H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide has a molecular weight of 466.84 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is sourced from PubChem (CID 18732526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).