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

C20H33N3O3S — CID 42520583

IUPAC1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCC(O)CC2)n1CC1CCCCC1
InChIInChI=1S/C20H33N3O3S/c24-19-8-10-22(11-9-19)14-18-12-21-20(27(25,26)15-17-6-7-17)23(18)13-16-4-2-1-3-5-16/h12,16-17,19,24H,1-11,13-15H2
InChIKeyWSYKEDISUVCSDS-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.60
Rot. Bonds7

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

1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol (PubChem CID 42520583) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol
PubChem CID42520583
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCC(O)CC2)n1CC1CCCCC1
InChIInChI=1S/C20H33N3O3S/c24-19-8-10-22(11-9-19)14-18-12-21-20(27(25,26)15-17-6-7-17)23(18)13-16-4-2-1-3-5-16/h12,16-17,19,24H,1-11,13-15H2
InChIKeyWSYKEDISUVCSDS-UHFFFAOYSA-N
XLogP2.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)thiomorpholine
CID 28811598
4-({1-(cyclohexylmethyl)-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)morpholine
CID 29085530
1-[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine
CID 30722304
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)dimethylamine
CID 42097491
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-4-methylpiperidine
CID 42196262
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-ethylethanamine
CID 42197608
1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-methoxypiperidine
CID 42290040
1-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azocane
CID 42455147
[1-({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)-4-piperidinyl]methanol
CID 42512854
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-propanamine
CID 42512918

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol (CID 42520583) is 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol is O=S(=O)(CC1CC1)c1ncc(CN2CCC(O)CC2)n1CC1CCCCC1.
What is the InChIKey of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is WSYKEDISUVCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c24-19-8-10-22(11-9-19)14-18-12-21-20(27(25,26)15-17-6-7-17)23(18)13-16-4-2-1-3-5-16/h12,16-17,19,24H,1-11,13-15H2.
What are the key properties of 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol?
1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 395.57 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 42520583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).