2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide

C25H29N3O2 — CID 163397668

IUPAC2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
SMILESC=C1CC(C)CC(C)C1CC(=O)Nc1ccc2nc(Cc3cccc(O)c3)[nH]c2c1
InChIInChI=1S/C25H29N3O2/c1-15-9-16(2)21(17(3)10-15)14-25(30)26-19-7-8-22-23(13-19)28-24(27-22)12-18-5-4-6-20(29)11-18/h4-8,11,13,15,17,21,29H,2,9-10,12,14H2,1,3H3,(H,26,30)(H,27,28)
InChIKeyUVRDPFLKTGMRHM-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.43
Rot. Bonds5

About 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide

2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 163397668) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
PubChem CID163397668
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
SMILESC=C1CC(C)CC(C)C1CC(=O)Nc1ccc2nc(Cc3cccc(O)c3)[nH]c2c1
InChIInChI=1S/C25H29N3O2/c1-15-9-16(2)21(17(3)10-15)14-25(30)26-19-7-8-22-23(13-19)28-24(27-22)12-18-5-4-6-20(29)11-18/h4-8,11,13,15,17,21,29H,2,9-10,12,14H2,1,3H3,(H,26,30)(H,27,28)
InChIKeyUVRDPFLKTGMRHM-UHFFFAOYSA-N
XLogP5.43
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclohexyl-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
CID 163397660
N-(2-benzyl-3H-benzimidazol-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 46977451
N-(2-benzyl-3H-benzimidazol-5-yl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 92626778
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 51044165
tert-butyl N-[[6-[[2-(2-adamantyl)acetyl]amino]-1H-benzimidazol-2-yl]methyl]carbamate
CID 155390029
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
2-benzyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526709
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide
CID 155399265
N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 155956165
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
CID 110204597
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide (CID 163397668) is 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide is C=C1CC(C)CC(C)C1CC(=O)Nc1ccc2nc(Cc3cccc(O)c3)[nH]c2c1.
What is the InChIKey of 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
The InChIKey is UVRDPFLKTGMRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-15-9-16(2)21(17(3)10-15)14-25(30)26-19-7-8-22-23(13-19)28-24(27-22)12-18-5-4-6-20(29)11-18/h4-8,11,13,15,17,21,29H,2,9-10,12,14H2,1,3H3,(H,26,30)(H,27,28).
What are the key properties of 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 5.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-methylidenecyclohexyl)-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 163397668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).