N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide

C19H20ClN3O — CID 71711224

IUPACN-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O/c1-2-3-10-21-19(24)15-6-9-18-17(11-15)22-13-23(18)12-14-4-7-16(20)8-5-14/h4-9,11,13H,2-3,10,12H2,1H3,(H,21,24)
InChIKeyBUZUYIBKSYBPCI-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.27
Rot. Bonds6

About N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide

N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 71711224) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
PubChem CID71711224
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O/c1-2-3-10-21-19(24)15-6-9-18-17(11-15)22-13-23(18)12-14-4-7-16(20)8-5-14/h4-9,11,13H,2-3,10,12H2,1H3,(H,21,24)
InChIKeyBUZUYIBKSYBPCI-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
1-[(4-chlorophenyl)methyl]-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 74930386
1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide
CID 74930486
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
2-[4-[[5-(3-methylbutylcarbamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 71572066
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide (CID 71711224) is N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide is CCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is BUZUYIBKSYBPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-2-3-10-21-19(24)15-6-9-18-17(11-15)22-13-23(18)12-14-4-7-16(20)8-5-14/h4-9,11,13H,2-3,10,12H2,1H3,(H,21,24).
What are the key properties of N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide?
N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 71711224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).