2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

C13H22N2O — CID 106953084

IUPAC2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC1CCC(C2=NC(C(C)C)C(=O)N2)CC1
InChIInChI=1S/C13H22N2O/c1-8(2)11-13(16)15-12(14-11)10-6-4-9(3)5-7-10/h8-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZOFLWLKAJSAGRY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.37
Rot. Bonds2

About 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953084) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953084
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC1CCC(C2=NC(C(C)C)C(=O)N2)CC1
InChIInChI=1S/C13H22N2O/c1-8(2)11-13(16)15-12(14-11)10-6-4-9(3)5-7-10/h8-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZOFLWLKAJSAGRY-UHFFFAOYSA-N
XLogP2.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953192
4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one
CID 106953392
2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953015
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106953031
2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953016
2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953110
2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953099
2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953207
2-(1-phenylcyclopentyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953089
4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
CID 106953112
4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one
CID 106953040
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953084) is 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is CC1CCC(C2=NC(C(C)C)C(=O)N2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is ZOFLWLKAJSAGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(2)11-13(16)15-12(14-11)10-6-4-9(3)5-7-10/h8-11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 222.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).