1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone

C14H16N2O — CID 115036752

IUPAC1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cncn1C(C)C
InChIInChI=1S/C14H16N2O/c1-10(2)16-9-15-8-14(16)13-7-5-4-6-12(13)11(3)17/h4-10H,1-3H3
InChIKeyPSRXSICGWMQPBJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.33
Rot. Bonds3

About 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone

1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone (PubChem CID 115036752) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone
PubChem CID115036752
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cncn1C(C)C
InChIInChI=1S/C14H16N2O/c1-10(2)16-9-15-8-14(16)13-7-5-4-6-12(13)11(3)17/h4-10H,1-3H3
InChIKeyPSRXSICGWMQPBJ-UHFFFAOYSA-N
XLogP3.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
CID 115054902
2-(3-ethylimidazol-4-yl)benzoic acid
CID 115029530
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
3-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
CID 115054892
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole
CID 165482418
2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79671111
1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone
CID 123233603
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
1-(2-acetylphenyl)ethanone;methane
CID 158210616
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700
5-(2-acetylphenyl)-1H-pyrimidin-2-one
CID 105467489

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone (CID 115036752) is 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone is CC(=O)c1ccccc1-c1cncn1C(C)C.
What is the InChIKey of 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone?
The InChIKey is PSRXSICGWMQPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)16-9-15-8-14(16)13-7-5-4-6-12(13)11(3)17/h4-10H,1-3H3.
What are the key properties of 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone?
1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone has a molecular weight of 228.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 115036752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).