1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone

C14H16N2O — CID 22258161

IUPAC1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
SMILESCC(C)c1cnc(CC(=O)c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2O/c1-10(2)12-9-15-14(16-12)8-13(17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyMOLFEPCPSWHJPY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.96
Rot. Bonds4

About 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone

1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone (PubChem CID 22258161) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
PubChem CID22258161
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
SMILESCC(C)c1cnc(CC(=O)c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2O/c1-10(2)12-9-15-14(16-12)8-13(17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyMOLFEPCPSWHJPY-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 ≤ 500228.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[2-(phenoxymethyl)-1H-imidazol-5-yl]ethyl]benzoic acid
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2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone
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1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027
2-[5-[2-(methylamino)propoxy]pyrimidin-2-yl]-1-phenylethanone
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(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
2-(6-acetyl-3-pyridinyl)-1-phenylethanone
CID 159930313
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
(3S,4R)-1,3,4-triphenylpentan-1-one
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1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone (CID 22258161) is 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone is CC(C)c1cnc(CC(=O)c2ccccc2)[nH]1.
What is the InChIKey of 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
The InChIKey is MOLFEPCPSWHJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)12-9-15-14(16-12)8-13(17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16).
What are the key properties of 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone?
1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone has a molecular weight of 228.30 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 1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 22258161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).