2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

C14H8Cl2N2O2 — CID 135519731

IUPAC2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2Cl)=NC1=Cc1ccco1
InChIInChI=1S/C14H8Cl2N2O2/c15-8-3-4-10(11(16)6-8)13-17-12(14(19)18-13)7-9-2-1-5-20-9/h1-7H,(H,17,18,19)
InChIKeyUROZNWQJLRXCRB-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.50
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135519731) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135519731
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2Cl)=NC1=Cc1ccco1
InChIInChI=1S/C14H8Cl2N2O2/c15-8-3-4-10(11(16)6-8)13-17-12(14(19)18-13)7-9-2-1-5-20-9/h1-7H,(H,17,18,19)
InChIKeyUROZNWQJLRXCRB-UHFFFAOYSA-N
XLogP3.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-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

(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
(4E)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135699223
(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893104
(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893097
2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4969889
(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135934938
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136893883
(4E)-2-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520824
(4Z)-2-(2-chloro-4-nitrophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520150
(4Z)-2-(4-chloro-2-pyridinyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 9052520
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chlorophenyl)-1H-imidazol-5-one
CID 135519720

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 135519731) is 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(c2ccc(Cl)cc2Cl)=NC1=Cc1ccco1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is UROZNWQJLRXCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-8-3-4-10(11(16)6-8)13-17-12(14(19)18-13)7-9-2-1-5-20-9/h1-7H,(H,17,18,19).
What are the key properties of 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 307.14 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135519731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).