(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one

C19H13ClN4OS — CID 11188186

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
SMILESCc1nnc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2)s1
InChIInChI=1S/C19H13ClN4OS/c1-12-22-23-19(26-12)24-17(14-5-3-2-4-6-14)21-16(18(24)25)11-13-7-9-15(20)10-8-13/h2-11H,1H3/b16-11+
InChIKeyUSAGYFZNJLUBEI-LFIBNONCSA-N
MW380.86 g/mol
LogP4.33
Rot. Bonds3

About (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one

(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one (PubChem CID 11188186) has the molecular formula C19H13ClN4OS and a molecular weight of 380.86 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
PubChem CID11188186
Molecular FormulaC19H13ClN4OS
Molecular Weight380.86 g/mol
Exact Mass380.05
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
SMILESCc1nnc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2)s1
InChIInChI=1S/C19H13ClN4OS/c1-12-22-23-19(26-12)24-17(14-5-3-2-4-6-14)21-16(18(24)25)11-13-7-9-15(20)10-8-13/h2-11H,1H3/b16-11+
InChIKeyUSAGYFZNJLUBEI-LFIBNONCSA-N
XLogP4.33
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
CID 6447509
5-benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
CID 3059590
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
5-benzylidene-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one
CID 3777613
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 3869257
4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(4-methylphenyl)benzamide
CID 3842568
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 682030
(5E)-5-[(3-chlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-phenylimidazol-4-one
CID 26476887

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one (CID 11188186) is (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one is Cc1nnc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2)s1.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one?
The InChIKey is USAGYFZNJLUBEI-LFIBNONCSA-N. The full InChI is InChI=1S/C19H13ClN4OS/c1-12-22-23-19(26-12)24-17(14-5-3-2-4-6-14)21-16(18(24)25)11-13-7-9-15(20)10-8-13/h2-11H,1H3/b16-11+.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one?
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one has a molecular weight of 380.86 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one is sourced from PubChem (CID 11188186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).