2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile

C18H15FN6 — CID 145148933

IUPAC2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile
SMILES[H]/N=C(/C=C\c1ncc(C#N)[nH]1)c1c(-c2ccc(F)c(C)c2)ncn1C
InChIInChI=1S/C18H15FN6/c1-11-7-12(3-4-14(11)19)17-18(25(2)10-23-17)15(21)5-6-16-22-9-13(8-20)24-16/h3-7,9-10,21H,1-2H3,(H,22,24)/b6-5-,21-15-
InChIKeyUZFXDBZKFUEDIY-KAZWZCGUSA-N
MW334.36 g/mol
LogP3.21
Rot. Bonds4

About 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile

2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile (PubChem CID 145148933) has the molecular formula C18H15FN6 and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile
PubChem CID145148933
Molecular FormulaC18H15FN6
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile
SMILES[H]/N=C(/C=C\c1ncc(C#N)[nH]1)c1c(-c2ccc(F)c(C)c2)ncn1C
InChIInChI=1S/C18H15FN6/c1-11-7-12(3-4-14(11)19)17-18(25(2)10-23-17)15(21)5-6-16-22-9-13(8-20)24-16/h3-7,9-10,21H,1-2H3,(H,22,24)/b6-5-,21-15-
InChIKeyUZFXDBZKFUEDIY-KAZWZCGUSA-N
XLogP3.21
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-3-[5-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile
CID 146410060
2-[(Z)-3-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile
CID 145148940
(Z)-1-[4-(4-fluorophenyl)-2-[(Z)-3-imino-3-(4-methylpiperazin-1-yl)prop-1-enyl]-1H-imidazol-5-yl]-3-(5-methyl-1H-imidazol-2-yl)prop-2-en-1-imine
CID 144654297
4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
CID 143255018
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219460
1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
CID 94962234
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56825968
3-[2-[3-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]benzonitrile
CID 137037612
5-[(Z)-4-(2-cyano-4-fluorophenyl)-4-iminobut-2-en-2-yl]-1H-imidazole-2-carboxamide;ethane
CID 145397875

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile (CID 145148933) is 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile is [H]/N=C(/C=C\c1ncc(C#N)[nH]1)c1c(-c2ccc(F)c(C)c2)ncn1C.
What is the InChIKey of 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile?
The InChIKey is UZFXDBZKFUEDIY-KAZWZCGUSA-N. The full InChI is InChI=1S/C18H15FN6/c1-11-7-12(3-4-14(11)19)17-18(25(2)10-23-17)15(21)5-6-16-22-9-13(8-20)24-16/h3-7,9-10,21H,1-2H3,(H,22,24)/b6-5-,21-15-.
What are the key properties of 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile?
2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile has a molecular weight of 334.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]-3-iminoprop-1-enyl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 145148933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).