4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one

C11H18N2O — CID 10512030

IUPAC4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one
SMILESCn1ccnc1C(=O)CCC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-5-9(14)10-12-7-8-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyVTNWOHWIWMSYHL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.43
Rot. Bonds3

About 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one

4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one (PubChem CID 10512030) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one
PubChem CID10512030
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one
SMILESCn1ccnc1C(=O)CCC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-5-9(14)10-12-7-8-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyVTNWOHWIWMSYHL-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Methyl-1H-imidazol-2-yl)ethan-1-one
CID 14339671
1-(1-ethyl-1H-imidazol-2-yl)ethan-1-one
CID 23564055
1-(1-methyl-1H-imidazol-2-yl)propan-1-one
CID 60660029
3-(3,3-dimethyl-2-oxobutyl)-1-vinyl-1H-imidazol-3-ium bromide
CID 2881597
4-(1-methyl-1H-imidazol-2-yl)butan-2-one
CID 58664383
3-methyl-1-(1-methyl-1H-imidazol-2-yl)butan-2-one
CID 60758001
1-(1-methyl-1H-imidazol-2-yl)butan-2-one
CID 60758008
1-(1H-Imidazol-1-yl)-3,3-dimethylbutan-2-one
CID 12769453
3-(1-methyl-1H-imidazol-2-yl)cyclohexan-1-one
CID 64521900
1-Cyclopropyl-2-(1-methylimidazol-2-yl)ethanone;hydrochloride
CID 154832831
1,7-bis(1-methyl-1H-imidazol-2-yl)heptane-1,7-dione
CID 14040383
1,4-Bis(1-methylimidazol-2-yl)butane-1,4-dione
CID 14040380

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one (CID 10512030) is 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one is Cn1ccnc1C(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one?
The InChIKey is VTNWOHWIWMSYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)6-5-9(14)10-12-7-8-13(10)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one?
4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one has a molecular weight of 194.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one is sourced from PubChem (CID 10512030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).