2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile

C18H10ClN5 — CID 86278873

IUPAC2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile
SMILES[H]/N=C1\C(=C(C#N)C#N)N=C(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClN5/c19-14-6-8-15(9-7-14)24-17(22)16(13(10-20)11-21)23-18(24)12-4-2-1-3-5-12/h1-9,22H/b22-17+
InChIKeySVZBPGWXGPYJQS-OQKWZONESA-N
MW331.77 g/mol
LogP3.89
Rot. Bonds2

About 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile

2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile (PubChem CID 86278873) has the molecular formula C18H10ClN5 and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile
PubChem CID86278873
Molecular FormulaC18H10ClN5
Molecular Weight331.77 g/mol
Exact Mass331.06
IUPAC Name2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile
SMILES[H]/N=C1\C(=C(C#N)C#N)N=C(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClN5/c19-14-6-8-15(9-7-14)24-17(22)16(13(10-20)11-21)23-18(24)12-4-2-1-3-5-12/h1-9,22H/b22-17+
InChIKeySVZBPGWXGPYJQS-OQKWZONESA-N
XLogP3.89
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
2-(1-methyl-2-phenyl-5-phenyliminoimidazol-4-ylidene)propanedinitrile
CID 86278887
1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
CID 12774190
2-[3-(4-chlorophenyl)-4-methyl-1,3-selenazol-2-ylidene]propanedinitrile
CID 24823693
2-[5-cyano-6-imino-4-(4-methoxyphenyl)-1-phenyl-3H-pyridin-2-ylidene]propanedinitrile
CID 4247796
1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
CID 15365439
(2E)-2-[3,6-bis(4-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-ylidene]acetonitrile
CID 102581752
3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 1335990
2-(3,4-diphenyl-1,3-thiazol-2-ylidene)propanedinitrile
CID 15697421
2-(4-chlorophenyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 10761239
(3aS,4R,6R,7R,7aS)-4,6-bis(3,4-dichlorophenyl)-7a-hydroxy-3-imino-1-oxo-2,7-diphenyl-6,7-dihydro-4H-isoindole-3a,5,5-tricarbonitrile
CID 132596839
(3S,4S)-1-(4-chlorophenyl)-2-oxo-4,6-diphenyl-3,4-dihydropyridine-3-carbonitrile
CID 122385631

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile (CID 86278873) is 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile is [H]/N=C1\C(=C(C#N)C#N)N=C(c2ccccc2)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile?
The InChIKey is SVZBPGWXGPYJQS-OQKWZONESA-N. The full InChI is InChI=1S/C18H10ClN5/c19-14-6-8-15(9-7-14)24-17(22)16(13(10-20)11-21)23-18(24)12-4-2-1-3-5-12/h1-9,22H/b22-17+.
What are the key properties of 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile?
2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile has a molecular weight of 331.77 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile is sourced from PubChem (CID 86278873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).