1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole

C15H25N3 — CID 114706666

IUPAC1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
SMILESCC1(C)CCCCC1n1cncc1C1CCCN1
InChIInChI=1S/C15H25N3/c1-15(2)8-4-3-7-14(15)18-11-16-10-13(18)12-6-5-9-17-12/h10-12,14,17H,3-9H2,1-2H3
InChIKeyNYBPZQJRZYNJKK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.45
Rot. Bonds2

About 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole

1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114706666) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114706666
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
SMILESCC1(C)CCCCC1n1cncc1C1CCCN1
InChIInChI=1S/C15H25N3/c1-15(2)8-4-3-7-14(15)18-11-16-10-13(18)12-6-5-9-17-12/h10-12,14,17H,3-9H2,1-2H3
InChIKeyNYBPZQJRZYNJKK-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole 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

1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943398
2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine
CID 114721223
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole
CID 114706346
1-(1-methylcyclobutyl)-5-pyrrolidin-2-ylimidazole
CID 114707392
1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943773
2-[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114703362
1-(2,4-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706222
2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706331
2-[3-(4-ethylcyclohexyl)imidazol-4-yl]piperidine
CID 114704600
2-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706226
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]thiane 1-oxide
CID 104943786

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole (CID 114706666) is 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole is CC1(C)CCCCC1n1cncc1C1CCCN1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is NYBPZQJRZYNJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2)8-4-3-7-14(15)18-11-16-10-13(18)12-6-5-9-17-12/h10-12,14,17H,3-9H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?
1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 247.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114706666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).