3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one

C14H16ClN3O — CID 110167730

IUPAC3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCC2)CN1c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c15-11-5-4-6-12(9-11)18-10-13(16-14(18)19)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2
InChIKeyNUDYDWRIVPRLBF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.16
Rot. Bonds1

About 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one

3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one (PubChem CID 110167730) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
PubChem CID110167730
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCC2)CN1c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c15-11-5-4-6-12(9-11)18-10-13(16-14(18)19)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2
InChIKeyNUDYDWRIVPRLBF-UHFFFAOYSA-N
XLogP3.16
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 145391535
1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine
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1-(3-chlorophenyl)-4-methyl-1,4-diazepane
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3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one
CID 989433
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
5-chloro-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 84680740
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665
4-(chloromethyl)-1-(3-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168509498
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110545231
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
The IUPAC name of 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one (CID 110167730) is 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one is O=C1N=C(N2CCCCC2)CN1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
The InChIKey is NUDYDWRIVPRLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-5-4-6-12(9-11)18-10-13(16-14(18)19)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one is sourced from PubChem (CID 110167730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).