1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one

C12H15ClN2O — CID 102279125

IUPAC1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c1-2-12(16)15-8-7-14(9-15)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyGUBJZFOOCRQKNP-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.36
Rot. Bonds2

About 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one

1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one (PubChem CID 102279125) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
PubChem CID102279125
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c1-2-12(16)15-8-7-14(9-15)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyGUBJZFOOCRQKNP-UHFFFAOYSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-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-(3-phenylimidazolidin-1-yl)propan-1-one
CID 102279123
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-pyrrol-1-ylphenyl)piperazin-1-yl]propan-1-one
CID 91674743
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 18613656
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4692412

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one (CID 102279125) is 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one?
The InChIKey is GUBJZFOOCRQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-12(16)15-8-7-14(9-15)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one?
1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one has a molecular weight of 238.72 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one is sourced from PubChem (CID 102279125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).