1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide

C23H19ClFN3O — CID 74930486

IUPAC1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C23H19ClFN3O/c1-15(19-4-2-3-5-20(19)25)27-23(29)17-8-11-22-21(12-17)26-14-28(22)13-16-6-9-18(24)10-7-16/h2-12,14-15H,13H2,1H3,(H,27,29)
InChIKeyIAVBBXOKSRRAJY-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.37
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide (PubChem CID 74930486) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide
PubChem CID74930486
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C23H19ClFN3O/c1-15(19-4-2-3-5-20(19)25)27-23(29)17-8-11-22-21(12-17)26-14-28(22)13-16-6-9-18(24)10-7-16/h2-12,14-15H,13H2,1H3,(H,27,29)
InChIKeyIAVBBXOKSRRAJY-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 74930386
N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
CID 71711224
1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 90380118
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 81380667
2-[4-[[5-(3-methylbutylcarbamoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 71572066
N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]benzimidazole-5-carboxamide
CID 118087996
bis(carbon dioxide);N-[(2S)-5-methylhexan-2-yl]-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-[(2S)-4-methylpentan-2-yl]-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide
CID 162083136
methyl 2-[5-[[5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]benzimidazol-1-yl]methyl]-2-pyridinyl]benzoate
CID 71572287
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
1-benzyl-N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxamide
CID 166377011
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide (CID 74930486) is 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide?
The InChIKey is IAVBBXOKSRRAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c1-15(19-4-2-3-5-20(19)25)27-23(29)17-8-11-22-21(12-17)26-14-28(22)13-16-6-9-18(24)10-7-16/h2-12,14-15H,13H2,1H3,(H,27,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 74930486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).