cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol

C15H24N2O3S — CID 167788384

IUPACcyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol
SMILESCS(=O)(=O)C1(Cn2ccnc2C(O)C2CCCCC2)CC1
InChIInChI=1S/C15H24N2O3S/c1-21(19,20)15(7-8-15)11-17-10-9-16-14(17)13(18)12-5-3-2-4-6-12/h9-10,12-13,18H,2-8,11H2,1H3
InChIKeyRKFDYQYRVZKALK-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds5

About cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol

cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol (PubChem CID 167788384) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol
PubChem CID167788384
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Namecyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol
SMILESCS(=O)(=O)C1(Cn2ccnc2C(O)C2CCCCC2)CC1
InChIInChI=1S/C15H24N2O3S/c1-21(19,20)15(7-8-15)11-17-10-9-16-14(17)13(18)12-5-3-2-4-6-12/h9-10,12-13,18H,2-8,11H2,1H3
InChIKeyRKFDYQYRVZKALK-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 167971641
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045
(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
CID 80622339
(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 167783974
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanol
CID 104753089
3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol
CID 115799261
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
N-(1-cyclohexylpropyl)-1-ethylimidazol-2-amine
CID 62407916
2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid
CID 55039484
N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 97075772
(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
CID 116756208

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol?
The IUPAC name of cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol (CID 167788384) is cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol is CS(=O)(=O)C1(Cn2ccnc2C(O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol?
The InChIKey is RKFDYQYRVZKALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-21(19,20)15(7-8-15)11-17-10-9-16-14(17)13(18)12-5-3-2-4-6-12/h9-10,12-13,18H,2-8,11H2,1H3.
What are the key properties of cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol?
cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol has a molecular weight of 312.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 167788384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).