1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide

C23H20FN3O — CID 3647100

IUPAC1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide
SMILESCc1ccc(-n2cnc3cc(C(=O)NCc4ccc(F)cc4)ccc32)c(C)c1
InChIInChI=1S/C23H20FN3O/c1-15-3-9-21(16(2)11-15)27-14-26-20-12-18(6-10-22(20)27)23(28)25-13-17-4-7-19(24)8-5-17/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyJJTMVGAZDSCZGY-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.71
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide

1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 3647100) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide
PubChem CID3647100
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide
SMILESCc1ccc(-n2cnc3cc(C(=O)NCc4ccc(F)cc4)ccc32)c(C)c1
InChIInChI=1S/C23H20FN3O/c1-15-3-9-21(16(2)11-15)27-14-26-20-12-18(6-10-22(20)27)23(28)25-13-17-4-7-19(24)8-5-17/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyJJTMVGAZDSCZGY-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide (CID 3647100) is 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide is Cc1ccc(-n2cnc3cc(C(=O)NCc4ccc(F)cc4)ccc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is JJTMVGAZDSCZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-15-3-9-21(16(2)11-15)27-14-26-20-12-18(6-10-22(20)27)23(28)25-13-17-4-7-19(24)8-5-17/h3-12,14H,13H2,1-2H3,(H,25,28).
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 3647100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).