2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide

C24H23N3O — CID 155676718

IUPAC2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide
SMILESCc1cccc(-c2nc3c(C(N)=O)cccc3n2CCCc2ccccc2)c1
InChIInChI=1S/C24H23N3O/c1-17-8-5-12-19(16-17)24-26-22-20(23(25)28)13-6-14-21(22)27(24)15-7-11-18-9-3-2-4-10-18/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H2,25,28)
InChIKeyNAURUPICZLVUKQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.74
Rot. Bonds6

About 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide

2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide (PubChem CID 155676718) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide
PubChem CID155676718
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide
SMILESCc1cccc(-c2nc3c(C(N)=O)cccc3n2CCCc2ccccc2)c1
InChIInChI=1S/C24H23N3O/c1-17-8-5-12-19(16-17)24-26-22-20(23(25)28)13-6-14-21(22)27(24)15-7-11-18-9-3-2-4-10-18/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H2,25,28)
InChIKeyNAURUPICZLVUKQ-UHFFFAOYSA-N
XLogP4.74
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide (CID 155676718) is 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide is Cc1cccc(-c2nc3c(C(N)=O)cccc3n2CCCc2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide?
The InChIKey is NAURUPICZLVUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-8-5-12-19(16-17)24-26-22-20(23(25)28)13-6-14-21(22)27(24)15-7-11-18-9-3-2-4-10-18/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H2,25,28).
What are the key properties of 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide?
2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 155676718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).