2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one

C22H15ClN2O2 — CID 176914434

IUPAC2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(Cl)c2)=NC1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H15ClN2O2/c23-17-8-5-7-16(14-17)21-24-20(22(26)25-21)13-15-6-4-11-19(12-15)27-18-9-2-1-3-10-18/h1-14H,(H,24,25,26)
InChIKeyGYHJAXAVCHCMFQ-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.05
Rot. Bonds4

About 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one

2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 176914434) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID176914434
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(Cl)c2)=NC1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H15ClN2O2/c23-17-8-5-7-16(14-17)21-24-20(22(26)25-21)13-15-6-4-11-19(12-15)27-18-9-2-1-3-10-18/h1-14H,(H,24,25,26)
InChIKeyGYHJAXAVCHCMFQ-UHFFFAOYSA-N
XLogP5.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914429
(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136894052
(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914438
2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914447
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
(4Z)-4-benzylidene-2-(4-chloro-3-nitrophenyl)-1H-imidazol-5-one
CID 135699336
4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
CID 136665608
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894363
(4E)-4-[(3-bromophenyl)methylidene]-2-(3-fluorophenyl)-1H-imidazol-5-one
CID 136894615
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91901882

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (CID 176914434) is 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2cccc(Cl)c2)=NC1=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is GYHJAXAVCHCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-17-8-5-7-16(14-17)21-24-20(22(26)25-21)13-15-6-4-11-19(12-15)27-18-9-2-1-3-10-18/h1-14H,(H,24,25,26).
What are the key properties of 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 374.83 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 176914434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).