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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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).