1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one

C15H19ClFN3O — CID 103049566

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(Cc2cc(Cl)ccc2F)CCN1C1CCNCC1
InChIInChI=1S/C15H19ClFN3O/c16-12-1-2-14(17)11(9-12)10-19-7-8-20(15(19)21)13-3-5-18-6-4-13/h1-2,9,13,18H,3-8,10H2
InChIKeyTUEBWXFDGJJFLO-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.47
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one

1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 103049566) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
PubChem CID103049566
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(Cc2cc(Cl)ccc2F)CCN1C1CCNCC1
InChIInChI=1S/C15H19ClFN3O/c16-12-1-2-14(17)11(9-12)10-19-7-8-20(15(19)21)13-3-5-18-6-4-13/h1-2,9,13,18H,3-8,10H2
InChIKeyTUEBWXFDGJJFLO-UHFFFAOYSA-N
XLogP2.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10667579
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418576
(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 23647090
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560
3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 11999088
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16124705
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5,5-di-(4-fluorophenyl)-imidazolidin-2-one
CID 16125681
4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177478
4-[(2-fluoro-4-chlorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 45277748

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one (CID 103049566) is 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one is O=C1N(Cc2cc(Cl)ccc2F)CCN1C1CCNCC1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is TUEBWXFDGJJFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c16-12-1-2-14(17)11(9-12)10-19-7-8-20(15(19)21)13-3-5-18-6-4-13/h1-2,9,13,18H,3-8,10H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 311.79 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 103049566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).