1-(3-phenylimidazolidin-1-yl)propan-1-one

C12H16N2O — CID 102279123

IUPAC1-(3-phenylimidazolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2ccccc2)C1
InChIInChI=1S/C12H16N2O/c1-2-12(15)14-9-8-13(10-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyDZHMRPWFXRNNKV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-phenylimidazolidin-1-yl)propan-1-one

1-(3-phenylimidazolidin-1-yl)propan-1-one (PubChem CID 102279123) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-phenylimidazolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-phenylimidazolidin-1-yl)propan-1-one
PubChem CID102279123
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-phenylimidazolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(c2ccccc2)C1
InChIInChI=1S/C12H16N2O/c1-2-12(15)14-9-8-13(10-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyDZHMRPWFXRNNKV-UHFFFAOYSA-N
XLogP1.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
CID 102279125
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
1-[4-(4-pyrrol-1-ylphenyl)piperazin-1-yl]propan-1-one
CID 91674743
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone
CID 10900412
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylimidazolidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-phenylimidazolidin-1-yl)propan-1-one (CID 102279123) is 1-(3-phenylimidazolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-phenylimidazolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-phenylimidazolidin-1-yl)propan-1-one is CCC(=O)N1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(3-phenylimidazolidin-1-yl)propan-1-one?
The InChIKey is DZHMRPWFXRNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-12(15)14-9-8-13(10-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of 1-(3-phenylimidazolidin-1-yl)propan-1-one?
1-(3-phenylimidazolidin-1-yl)propan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylimidazolidin-1-yl)propan-1-one is sourced from PubChem (CID 102279123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).