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

C25H25N3O2 — CID 176978642

IUPAC2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccccc1-c1ccc(C)cc1C)n2CCO
InChIInChI=1S/C25H25N3O2/c1-16-8-10-19(17(2)14-16)20-6-4-5-7-21(20)24-27-22-15-18(25(30)26-3)9-11-23(22)28(24)12-13-29/h4-11,14-15,29H,12-13H2,1-3H3,(H,26,30)
InChIKeyKMEXPUREVMGCTL-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.34
Rot. Bonds5

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

2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide (PubChem CID 176978642) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
PubChem CID176978642
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccccc1-c1ccc(C)cc1C)n2CCO
InChIInChI=1S/C25H25N3O2/c1-16-8-10-19(17(2)14-16)20-6-4-5-7-21(20)24-27-22-15-18(25(30)26-3)9-11-23(22)28(24)12-13-29/h4-11,14-15,29H,12-13H2,1-3H3,(H,26,30)
InChIKeyKMEXPUREVMGCTL-UHFFFAOYSA-N
XLogP4.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
2-[2-(2,4-dimethylphenyl)phenyl]-N,1-dimethylbenzimidazole-5-carboxamide
CID 176978825
4-[[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 176978645
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
CID 176978723
2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide
CID 176978684
3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole
CID 176978694
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
CID 176978800
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
methyl 5-[2-[1-[1-[4-[2-(1-ethyl-5-prop-1-ynylbenzimidazol-2-yl)phenyl]-3-methylphenyl]propan-2-yl]-5-(methylcarbamoyl)benzimidazol-2-yl]phenyl]-2-methylbenzoate
CID 176978632
1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide
CID 155953216
N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 2415278
3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
CID 82142189

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide (CID 176978642) is 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(-c1ccccc1-c1ccc(C)cc1C)n2CCO.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
The InChIKey is KMEXPUREVMGCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-8-10-19(17(2)14-16)20-6-4-5-7-21(20)24-27-22-15-18(25(30)26-3)9-11-23(22)28(24)12-13-29/h4-11,14-15,29H,12-13H2,1-3H3,(H,26,30).
What are the key properties of 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 176978642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).