1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one

C14H22N2O — CID 114529463

IUPAC1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCC1CCCC(C(=O)CCc2nccn2C)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-12(10-11)13(17)6-7-14-15-8-9-16(14)2/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyRWXJYFSCKUMBNI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 114529463) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID114529463
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCC1CCCC(C(=O)CCc2nccn2C)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-12(10-11)13(17)6-7-14-15-8-9-16(14)2/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyRWXJYFSCKUMBNI-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811939
1-(2-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533280
1-(azepan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533288
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
CID 114531144
1-(1,4-dioxan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811960
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
CID 134205518
1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 114529463) is 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one is CC1CCCC(C(=O)CCc2nccn2C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is RWXJYFSCKUMBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-5-12(10-11)13(17)6-7-14-15-8-9-16(14)2/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 114529463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).