(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone

C14H22N2O2 — CID 163359842

IUPAC(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone
SMILESCC(C)C1CCC(C)(C(=O)c2ncc[nH]2)CC1O
InChIInChI=1S/C14H22N2O2/c1-9(2)10-4-5-14(3,8-11(10)17)12(18)13-15-6-7-16-13/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyIBXZOQNAPFWYDH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.42
Rot. Bonds3

About (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone

(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone (PubChem CID 163359842) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone
PubChem CID163359842
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone
SMILESCC(C)C1CCC(C)(C(=O)c2ncc[nH]2)CC1O
InChIInChI=1S/C14H22N2O2/c1-9(2)10-4-5-14(3,8-11(10)17)12(18)13-15-6-7-16-13/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyIBXZOQNAPFWYDH-UHFFFAOYSA-N
XLogP2.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91770212
1-(4-tert-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethanol
CID 62718716
1H-imidazol-2-yl(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 80283674
1H-imidazol-2-yl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 80283675
1H-imidazol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 80284966
cis-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91780639
cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 133267504

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone (CID 163359842) is (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone is CC(C)C1CCC(C)(C(=O)c2ncc[nH]2)CC1O.
What is the InChIKey of (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone?
The InChIKey is IBXZOQNAPFWYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)10-4-5-14(3,8-11(10)17)12(18)13-15-6-7-16-13/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone?
(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 163359842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).