3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one

C19H18ClN3O2 — CID 989433

IUPAC3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one
SMILESO=C1C(=Cc2ccco2)N=C(N2CCCCC2)N1c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c20-14-6-4-7-15(12-14)23-18(24)17(13-16-8-5-11-25-16)21-19(23)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2
InChIKeyLNBKPBMRTLHESE-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.16
Rot. Bonds2

About 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one

3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one (PubChem CID 989433) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one
PubChem CID989433
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one
SMILESO=C1C(=Cc2ccco2)N=C(N2CCCCC2)N1c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c20-14-6-4-7-15(12-14)23-18(24)17(13-16-8-5-11-25-16)21-19(23)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2
InChIKeyLNBKPBMRTLHESE-UHFFFAOYSA-N
XLogP4.16
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-benzylidene-3-(3-chlorophenyl)-2-methylimidazol-4-one
CID 4060854
1-(3-chlorophenyl)azonane
CID 145391535
2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4969889
(5E)-2-[(3-chlorophenyl)methylsulfanyl]-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one
CID 2414390
(5Z)-2-[(3-chlorophenyl)methylsulfanyl]-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)imidazol-4-one
CID 2414392
(5E)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 16648555
(5E)-3-(3-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126222245
(5Z)-5-(furan-2-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 2055469
(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one
CID 682046
2-[(4E)-4-(furan-2-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137242198
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
N-(5-chloro-2-pyridinyl)-2-[4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
CID 1290564

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one?
The IUPAC name of 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one (CID 989433) is 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one is O=C1C(=Cc2ccco2)N=C(N2CCCCC2)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one?
The InChIKey is LNBKPBMRTLHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-14-6-4-7-15(12-14)23-18(24)17(13-16-8-5-11-25-16)21-19(23)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2.
What are the key properties of 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one?
3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one has a molecular weight of 355.83 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one is sourced from PubChem (CID 989433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).