2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone

C14H16N2O — CID 43162758

IUPAC2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H16N2O/c1-10(2)11-3-5-12(6-4-11)13(17)9-14-15-7-8-16-14/h3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeyFSUFFKUTDJELEG-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.96
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone

2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43162758) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43162758
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H16N2O/c1-10(2)11-3-5-12(6-4-11)13(17)9-14-15-7-8-16-14/h3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeyFSUFFKUTDJELEG-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone 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-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 81291362
2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 55160397
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 43248305
2-(1H-imidazol-2-yl)-1-(2-methylfuran-3-yl)ethanone
CID 43463678
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1-(1H-imidazol-2-yl)-3-phenylpentan-2-one
CID 43162765
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 107987148
2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65151440
1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
CID 68743487
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone (CID 43162758) is 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is FSUFFKUTDJELEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)11-3-5-12(6-4-11)13(17)9-14-15-7-8-16-14/h3-8,10H,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone?
2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43162758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).