1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole

C16H27N3O2S — CID 25273953

IUPAC1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole
SMILESCS(=O)(=O)c1ncc(CN2CCCC2)n1CC1CCCCC1
InChIInChI=1S/C16H27N3O2S/c1-22(20,21)16-17-11-15(13-18-9-5-6-10-18)19(16)12-14-7-3-2-4-8-14/h11,14H,2-10,12-13H2,1H3
InChIKeyDEUIAXGHCYGNGA-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.46
Rot. Bonds5

About 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole

1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole (PubChem CID 25273953) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole
PubChem CID25273953
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole
SMILESCS(=O)(=O)c1ncc(CN2CCCC2)n1CC1CCCCC1
InChIInChI=1S/C16H27N3O2S/c1-22(20,21)16-17-11-15(13-18-9-5-6-10-18)19(16)12-14-7-3-2-4-8-14/h11,14H,2-10,12-13H2,1H3
InChIKeyDEUIAXGHCYGNGA-UHFFFAOYSA-N
XLogP2.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole 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-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
2-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}octahydropyrrolo[1,2-a]pyrazine
CID 45183265
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 25287503
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28739725
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-L-prolinamide
CID 25273965
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212
N-ethyl-N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2-methyl-2-propen-1-amine
CID 25282962
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-ethyl-2-methyl-2-propen-1-amine
CID 25286988
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-3-(1-pyrrolidinyl)-1-propanamine
CID 28390231
1-cyclohexyl-4-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}piperazine
CID 28393918

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole?
The IUPAC name of 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole (CID 25273953) is 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole?
The canonical SMILES for 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole is CS(=O)(=O)c1ncc(CN2CCCC2)n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole?
The InChIKey is DEUIAXGHCYGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-22(20,21)16-17-11-15(13-18-9-5-6-10-18)19(16)12-14-7-3-2-4-8-14/h11,14H,2-10,12-13H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole?
1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole has a molecular weight of 325.48 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-methylsulfonyl-5-(pyrrolidin-1-ylmethyl)imidazole is sourced from PubChem (CID 25273953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).