(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine

C19H16FN5 — CID 9024138

IUPAC(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\n1cnc2ccccc21
InChIInChI=1S/C19H16FN5/c1-13-17(11-22-24-12-21-18-5-3-4-6-19(18)24)14(2)25(23-13)16-9-7-15(20)8-10-16/h3-12H,1-2H3/b22-11-
InChIKeyFLGSBIYTNJFKGH-JJFYIABZSA-N
MW333.37 g/mol
LogP3.86
Rot. Bonds3

About (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine

(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine (PubChem CID 9024138) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
PubChem CID9024138
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\n1cnc2ccccc21
InChIInChI=1S/C19H16FN5/c1-13-17(11-22-24-12-21-18-5-3-4-6-19(18)24)14(2)25(23-13)16-9-7-15(20)8-10-16/h3-12H,1-2H3/b22-11-
InChIKeyFLGSBIYTNJFKGH-JJFYIABZSA-N
XLogP3.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028599
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
(Z)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
CID 9194563
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 45114683
2-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 4854819
4-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 9182137
(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297603
(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine
CID 9023604
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 45114740
(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 55408479
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 9023689
(Z)-N-(benzimidazol-1-yl)-1-naphthalen-2-ylmethanimine
CID 9023831

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
The IUPAC name of (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine (CID 9024138) is (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine.
What is the SMILES notation for (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
The canonical SMILES for (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine is Cc1nn(-c2ccc(F)cc2)c(C)c1/C=N\n1cnc2ccccc21.
What is the InChIKey of (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
The InChIKey is FLGSBIYTNJFKGH-JJFYIABZSA-N. The full InChI is InChI=1S/C19H16FN5/c1-13-17(11-22-24-12-21-18-5-3-4-6-19(18)24)14(2)25(23-13)16-9-7-15(20)8-10-16/h3-12H,1-2H3/b22-11-.
What are the key properties of (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine?
(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine has a molecular weight of 333.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine is sourced from PubChem (CID 9024138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).