4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile

C26H17Cl2FN4O — CID 10300108

IUPAC4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile
SMILESCn1cncc1C(F)(COc1ccc(C#N)cc1-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1
InChIInChI=1S/C26H17Cl2FN4O/c1-33-16-32-14-25(33)26(29,20-5-2-17(12-30)3-6-20)15-34-24-7-4-18(13-31)8-23(24)19-9-21(27)11-22(28)10-19/h2-11,14,16H,15H2,1H3
InChIKeyOZYJQMRRBFQKNP-UHFFFAOYSA-N
MW491.35 g/mol
LogP6.43
Rot. Bonds6

About 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile

4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile (PubChem CID 10300108) has the molecular formula C26H17Cl2FN4O and a molecular weight of 491.35 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile
PubChem CID10300108
Molecular FormulaC26H17Cl2FN4O
Molecular Weight491.35 g/mol
Exact Mass490.08
IUPAC Name4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile
SMILESCn1cncc1C(F)(COc1ccc(C#N)cc1-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1
InChIInChI=1S/C26H17Cl2FN4O/c1-33-16-32-14-25(33)26(29,20-5-2-17(12-30)3-6-20)15-34-24-7-4-18(13-31)8-23(24)19-9-21(27)11-22(28)10-19/h2-11,14,16H,15H2,1H3
InChIKeyOZYJQMRRBFQKNP-UHFFFAOYSA-N
XLogP6.43
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.35
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Abt-100
CID 6451154
3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile
CID 10127337
4-({[4-chloro-2-(3-methoxyphenyl)phenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 10138363
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(4-methoxyphenyl)benzonitrile
CID 11247532
3-(3-chlorophenyl)-4-{[(4-cyano-2-fluorophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile
CID 11396942
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 11431774
3-(3-chlorophenyl)-4-{[(4-cyano-3-fluorophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile
CID 11442467
4-{[(3-chloro-4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(3-methoxyphenyl)benzonitrile
CID 11454168
4-({[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 10226337
4-{[(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(3-methoxyphenyl)benzonitrile
CID 11189976
4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(4-ethoxyphenyl)benzonitrile
CID 11362876
6-[[[3-(3-Chlorophenyl)-4-cyanophenyl]-(3-methylimidazol-4-yl)methoxy]methyl]-1-methyl-2-oxo-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 44352430

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile?
The IUPAC name of 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile (CID 10300108) is 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile.
What is the SMILES notation for 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile?
The canonical SMILES for 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile is Cn1cncc1C(F)(COc1ccc(C#N)cc1-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile?
The InChIKey is OZYJQMRRBFQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2FN4O/c1-33-16-32-14-25(33)26(29,20-5-2-17(12-30)3-6-20)15-34-24-7-4-18(13-31)8-23(24)19-9-21(27)11-22(28)10-19/h2-11,14,16H,15H2,1H3.
What are the key properties of 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile?
4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile has a molecular weight of 491.35 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenyl)-2-fluoro-2-(3-methylimidazol-4-yl)ethoxy]-3-(3,5-dichlorophenyl)benzonitrile is sourced from PubChem (CID 10300108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).