2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide

C25H25N3O — CID 122371996

IUPAC2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(C(=O)NC)ccc21
InChIInChI=1S/C25H25N3O/c1-5-28-23-13-11-18(25(29)26-4)15-22(23)27-24(28)21-9-7-6-8-20(21)19-12-10-16(2)14-17(19)3/h6-15H,5H2,1-4H3,(H,26,29)
InChIKeyAAUYSFKQQJKKDD-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.37
Rot. Bonds4

About 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide (PubChem CID 122371996) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
PubChem CID122371996
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(C(=O)NC)ccc21
InChIInChI=1S/C25H25N3O/c1-5-28-23-13-11-18(25(29)26-4)15-22(23)27-24(28)21-9-7-6-8-20(21)19-12-10-16(2)14-17(19)3/h6-15H,5H2,1-4H3,(H,26,29)
InChIKeyAAUYSFKQQJKKDD-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide (CID 122371996) is 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide is CCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(C(=O)NC)ccc21.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide?
The InChIKey is AAUYSFKQQJKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-5-28-23-13-11-18(25(29)26-4)15-22(23)27-24(28)21-9-7-6-8-20(21)19-12-10-16(2)14-17(19)3/h6-15H,5H2,1-4H3,(H,26,29).
What are the key properties of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide?
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 122371996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).