N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide

C24H29N3O2 — CID 155513971

IUPACN-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Cn2c(-c3cc(C)c(O)c(C)c3)nc3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c1-15-12-19(13-16(2)23(15)29)24-26-21-6-4-5-7-22(21)27(24)14-18-8-10-20(11-9-18)25-17(3)28/h4-7,12-13,18,20,29H,8-11,14H2,1-3H3,(H,25,28)
InChIKeyIFJKXFYLNHQQDT-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.72
Rot. Bonds4

About N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide

N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide (PubChem CID 155513971) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide
PubChem CID155513971
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Cn2c(-c3cc(C)c(O)c(C)c3)nc3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c1-15-12-19(13-16(2)23(15)29)24-26-21-6-4-5-7-22(21)27(24)14-18-8-10-20(11-9-18)25-17(3)28/h4-7,12-13,18,20,29H,8-11,14H2,1-3H3,(H,25,28)
InChIKeyIFJKXFYLNHQQDT-UHFFFAOYSA-N
XLogP4.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide 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 N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide (CID 155513971) is N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide is CC(=O)NC1CCC(Cn2c(-c3cc(C)c(O)c(C)c3)nc3ccccc32)CC1.
What is the InChIKey of N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide?
The InChIKey is IFJKXFYLNHQQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15-12-19(13-16(2)23(15)29)24-26-21-6-4-5-7-22(21)27(24)14-18-8-10-20(11-9-18)25-17(3)28/h4-7,12-13,18,20,29H,8-11,14H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide?
N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 155513971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).