1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine

C21H35N3O2S — CID 42196262

IUPAC1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1
InChIInChI=1S/C21H35N3O2S/c1-17-9-11-23(12-10-17)15-20-13-22-21(27(25,26)16-19-7-8-19)24(20)14-18-5-3-2-4-6-18/h13,17-19H,2-12,14-16H2,1H3
InChIKeyUHWYZDMWKVSZKK-UHFFFAOYSA-N
MW393.60 g/mol
LogP3.88
Rot. Bonds7

About 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine

1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine (PubChem CID 42196262) has the molecular formula C21H35N3O2S and a molecular weight of 393.60 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine
PubChem CID42196262
Molecular FormulaC21H35N3O2S
Molecular Weight393.60 g/mol
Exact Mass393.24
IUPAC Name1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1
InChIInChI=1S/C21H35N3O2S/c1-17-9-11-23(12-10-17)15-20-13-22-21(27(25,26)16-19-7-8-19)24(20)14-18-5-3-2-4-6-18/h13,17-19H,2-12,14-16H2,1H3
InChIKeyUHWYZDMWKVSZKK-UHFFFAOYSA-N
XLogP3.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methoxypiperidine
CID 42513120
1-[4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 28733847
1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperidine
CID 45239287
1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepan-5-one
CID 29185269
1-[1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
CID 45197091
1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methoxyethyl)piperazine
CID 30722807
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperazine
CID 29087003
2-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 42529038
methyl 2-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methylamino]acetate
CID 42096798
(3R)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 51635946
1-[4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 28823524

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine (CID 42196262) is 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine is CC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1.
What is the InChIKey of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine?
The InChIKey is UHWYZDMWKVSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2S/c1-17-9-11-23(12-10-17)15-20-13-22-21(27(25,26)16-19-7-8-19)24(20)14-18-5-3-2-4-6-18/h13,17-19H,2-12,14-16H2,1H3.
What are the key properties of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine?
1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine has a molecular weight of 393.60 g/mol, XLogP of 3.88, 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]methyl]-4-methylpiperidine is sourced from PubChem (CID 42196262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).