1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide

C24H21ClFN3O — CID 44132174

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
SMILESCC[C@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=N3)CC4=C(C=C(C=C4)Cl)F
InChIInChI=1S/C24H21ClFN3O/c1-2-21(16-6-4-3-5-7-16)28-24(30)17-9-11-23-22(12-17)27-15-29(23)14-18-8-10-19(25)13-20(18)26/h3-13,15,21H,2,14H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyGFDMADAZGAOBRK-OAQYLSRUSA-N
MW421.90 g/mol
LogP5.50
Rot. Bonds6

About 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide

1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide (PubChem CID 44132174) has the molecular formula C24H21ClFN3O and a molecular weight of 421.90 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
PubChem CID44132174
Molecular FormulaC24H21ClFN3O
Molecular Weight421.90 g/mol
Exact Mass421.14
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
SMILESCC[C@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=N3)CC4=C(C=C(C=C4)Cl)F
InChIInChI=1S/C24H21ClFN3O/c1-2-21(16-6-4-3-5-7-16)28-24(30)17-9-11-23-22(12-17)27-15-29(23)14-18-8-10-19(25)13-20(18)26/h3-13,15,21H,2,14H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyGFDMADAZGAOBRK-OAQYLSRUSA-N
XLogP5.50
TPSA46.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity573

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.90
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
N-((2-chlorophenyl)methyl)-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 82017756
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
CID 25110759
1-(3,4-Dichlorobenzyl)-2-Methyl-N-[(1r)-1-Phenylpropyl]-1h-Benzimidazole-5-Carboxamide
CID 44132499
2-(2-(4-Chlorophenyl)-1h-Imidazol-5-Yl)-N,1-Bis(2-Methoxyethyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 53475688
1-[(2,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132175
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
4-fluoro-N-[6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 56650694
N-(4chlorophenethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 2098715
N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 1512222
[1-(3-Methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone
CID 71307812
(1-Tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone
CID 71307836

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide (CID 44132174) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide is CC[C@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=N3)CC4=C(C=C(C=C4)Cl)F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
The InChIKey is GFDMADAZGAOBRK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21ClFN3O/c1-2-21(16-6-4-3-5-7-16)28-24(30)17-9-11-23-22(12-17)27-15-29(23)14-18-8-10-19(25)13-20(18)26/h3-13,15,21H,2,14H2,1H3,(H,28,30)/t21-/m1/s1.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide has a molecular weight of 421.90 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 44132174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).