2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine

C17H25N3 — CID 102628107

IUPAC2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCC1C(N)CCC(c2nc3ccccc3n2C)C1(C)C
InChIInChI=1S/C17H25N3/c1-11-13(18)10-9-12(17(11,2)3)16-19-14-7-5-6-8-15(14)20(16)4/h5-8,11-13H,9-10,18H2,1-4H3
InChIKeyAQPCHMQTOZSIMZ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.44
Rot. Bonds1

About 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine

2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 102628107) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID102628107
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCC1C(N)CCC(c2nc3ccccc3n2C)C1(C)C
InChIInChI=1S/C17H25N3/c1-11-13(18)10-9-12(17(11,2)3)16-19-14-7-5-6-8-15(14)20(16)4/h5-8,11-13H,9-10,18H2,1-4H3
InChIKeyAQPCHMQTOZSIMZ-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-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

2,3,3-trimethyl-4-(4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 102630997
2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79750960
1-methyl-2-[(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzimidazole
CID 122393773
4-(7-bromo-1,3-benzoxazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
CID 102629616
2-(1-propylbenzimidazol-2-yl)cyclopentan-1-amine
CID 64812653
2-(2-aminocyclopentyl)-1-methylbenzimidazol-5-ol
CID 83857926
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine
CID 65102327
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
2-cyclopropyl-1-methylbenzimidazole;(2-cyclopropylpyrimidin-4-yl)hydrazine
CID 144628437
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine (CID 102628107) is 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine is CC1C(N)CCC(c2nc3ccccc3n2C)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is AQPCHMQTOZSIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-13(18)10-9-12(17(11,2)3)16-19-14-7-5-6-8-15(14)20(16)4/h5-8,11-13H,9-10,18H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 102628107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).