2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide

C26H25N5O — CID 164898086

IUPAC2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide
SMILESCNCCN(C)C(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2-c1ccc(C)cc1
InChIInChI=1S/C26H25N5O/c1-18-4-11-22(12-5-18)31-24-13-10-21(26(32)30(3)15-14-28-2)16-23(24)29-25(31)20-8-6-19(17-27)7-9-20/h4-13,16,28H,14-15H2,1-3H3
InChIKeyMWETWZJLGGLEGT-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.16
Rot. Bonds6

About 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide

2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 164898086) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide
PubChem CID164898086
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide
SMILESCNCCN(C)C(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2-c1ccc(C)cc1
InChIInChI=1S/C26H25N5O/c1-18-4-11-22(12-5-18)31-24-13-10-21(26(32)30(3)15-14-28-2)16-23(24)29-25(31)20-8-6-19(17-27)7-9-20/h4-13,16,28H,14-15H2,1-3H3
InChIKeyMWETWZJLGGLEGT-UHFFFAOYSA-N
XLogP4.16
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide (CID 164898086) is 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide is CNCCN(C)C(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2-c1ccc(C)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is MWETWZJLGGLEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-18-4-11-22(12-5-18)31-24-13-10-21(26(32)30(3)15-14-28-2)16-23(24)29-25(31)20-8-6-19(17-27)7-9-20/h4-13,16,28H,14-15H2,1-3H3.
What are the key properties of 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide?
2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-methyl-N-[2-(methylamino)ethyl]-1-(4-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 164898086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).