4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine

C17H25N3O — CID 102628130

IUPAC4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCOc1ccc2nc(C3CCC(N)C(C)C3(C)C)[nH]c2c1
InChIInChI=1S/C17H25N3O/c1-10-13(18)7-6-12(17(10,2)3)16-19-14-8-5-11(21-4)9-15(14)20-16/h5,8-10,12-13H,6-7,18H2,1-4H3,(H,19,20)
InChIKeyGPTYAQHDJZLOTB-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.44
Rot. Bonds2

About 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine

4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102628130) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102628130
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCOc1ccc2nc(C3CCC(N)C(C)C3(C)C)[nH]c2c1
InChIInChI=1S/C17H25N3O/c1-10-13(18)7-6-12(17(10,2)3)16-19-14-8-5-11(21-4)9-15(14)20-16/h5,8-10,12-13H,6-7,18H2,1-4H3,(H,19,20)
InChIKeyGPTYAQHDJZLOTB-UHFFFAOYSA-N
XLogP3.44
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine 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

6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
2-(6-methoxy-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763151
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175069852
2-[(3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-methoxy-1H-benzimidazole
CID 170441730
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 55114980
2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
CID 75131970
6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
CID 75131980
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine (CID 102628130) is 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine is COc1ccc2nc(C3CCC(N)C(C)C3(C)C)[nH]c2c1.
What is the InChIKey of 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is GPTYAQHDJZLOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-10-13(18)7-6-12(17(10,2)3)16-19-14-8-5-11(21-4)9-15(14)20-16/h5,8-10,12-13H,6-7,18H2,1-4H3,(H,19,20).
What are the key properties of 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102628130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).