1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide

C25H25N3O2 — CID 4663508

IUPAC1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-4-30-22-12-10-21(11-13-22)28-18(3)27-23-15-20(9-14-24(23)28)25(29)26-16-19-7-5-17(2)6-8-19/h5-15H,4,16H2,1-3H3,(H,26,29)
InChIKeySRAKRTHWYJJXGX-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.97
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide

1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 4663508) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID4663508
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-4-30-22-12-10-21(11-13-22)28-18(3)27-23-15-20(9-14-24(23)28)25(29)26-16-19-7-5-17(2)6-8-19/h5-15H,4,16H2,1-3H3,(H,26,29)
InChIKeySRAKRTHWYJJXGX-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide (CID 4663508) is 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide is CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is SRAKRTHWYJJXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-4-30-22-12-10-21(11-13-22)28-18(3)27-23-15-20(9-14-24(23)28)25(29)26-16-19-7-5-17(2)6-8-19/h5-15H,4,16H2,1-3H3,(H,26,29).
What are the key properties of 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide?
1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 4663508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).