4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile

C26H17FN4O — CID 10136916

IUPAC4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1nc(-c2ccc(F)cc2)c(-c2ccnc3ccccc23)n1O
InChIInChI=1S/C26H17FN4O/c1-16-14-17(15-28)6-11-20(16)26-30-24(18-7-9-19(27)10-8-18)25(31(26)32)22-12-13-29-23-5-3-2-4-21(22)23/h2-14,32H,1H3
InChIKeyQURYPUMOXHRPMN-UHFFFAOYSA-N
MW420.45 g/mol
LogP5.99
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile

4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile (PubChem CID 10136916) has the molecular formula C26H17FN4O and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile
PubChem CID10136916
Molecular FormulaC26H17FN4O
Molecular Weight420.45 g/mol
Exact Mass420.14
IUPAC Name4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1nc(-c2ccc(F)cc2)c(-c2ccnc3ccccc23)n1O
InChIInChI=1S/C26H17FN4O/c1-16-14-17(15-28)6-11-20(16)26-30-24(18-7-9-19(27)10-8-18)25(31(26)32)22-12-13-29-23-5-3-2-4-21(22)23/h2-14,32H,1H3
InChIKeyQURYPUMOXHRPMN-UHFFFAOYSA-N
XLogP5.99
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

indolo[3,2-d][1]benzazepine-9-carbonitrile
CID 139963449
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CID 138605612
4-naphthalen-2-ylquinoline
CID 14173372
7-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 138605696
4-(3-fluorophenyl)quinoline
CID 141309372
4-(3-methylphenyl)quinoline
CID 146587179
4-(4-hydroxyphenyl)-3-methylbenzonitrile
CID 22274632
1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
CID 142581738
7-quinolin-4-yl-1H-quinolin-2-one
CID 175792512
4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile
CID 21275463
4-[4-[4-(3-diphenylphosphorylphenyl)naphthalen-1-yl]-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138605069
4-[4-[4-(10-fluorobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 137472733

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile?
The IUPAC name of 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile (CID 10136916) is 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1nc(-c2ccc(F)cc2)c(-c2ccnc3ccccc23)n1O.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile?
The InChIKey is QURYPUMOXHRPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O/c1-16-14-17(15-28)6-11-20(16)26-30-24(18-7-9-19(27)10-8-18)25(31(26)32)22-12-13-29-23-5-3-2-4-21(22)23/h2-14,32H,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile?
4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile has a molecular weight of 420.45 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1-hydroxy-5-quinolin-4-ylimidazol-2-yl]-3-methylbenzonitrile is sourced from PubChem (CID 10136916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).