1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine

C17H29N3O2S — CID 42097491

IUPAC1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1
InChIInChI=1S/C17H29N3O2S/c1-19(2)12-16-10-18-17(23(21,22)13-15-8-9-15)20(16)11-14-6-4-3-5-7-14/h10,14-15H,3-9,11-13H2,1-2H3
InChIKeyHRTJENDRJDLCIU-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.71
Rot. Bonds7

About 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine

1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 42097491) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine
PubChem CID42097491
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1
InChIInChI=1S/C17H29N3O2S/c1-19(2)12-16-10-18-17(23(21,22)13-15-8-9-15)20(16)11-14-6-4-3-5-7-14/h10,14-15H,3-9,11-13H2,1-2H3
InChIKeyHRTJENDRJDLCIU-UHFFFAOYSA-N
XLogP2.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
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-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77080723
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28739725
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212
1-acetyl-4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-1,4-diazepane
CID 25274489

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine (CID 42097491) is 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine is CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is HRTJENDRJDLCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-19(2)12-16-10-18-17(23(21,22)13-15-8-9-15)20(16)11-14-6-4-3-5-7-14/h10,14-15H,3-9,11-13H2,1-2H3.
What are the key properties of 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine?
1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 339.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 42097491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).