4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile

C24H18Cl2N4O — CID 10297573

IUPAC4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
SMILESCn1cncc1C(OCc1ccc(Cl)nc1-c1cccc(Cl)c1)c1ccc(C#N)cc1
InChIInChI=1S/C24H18Cl2N4O/c1-30-15-28-13-21(30)24(17-7-5-16(12-27)6-8-17)31-14-19-9-10-22(26)29-23(19)18-3-2-4-20(25)11-18/h2-11,13,15,24H,14H2,1H3
InChIKeyIFBXFLCRVVJFBJ-UHFFFAOYSA-N
MW449.34 g/mol
LogP5.97
Rot. Bonds6

About 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile

4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile (PubChem CID 10297573) has the molecular formula C24H18Cl2N4O and a molecular weight of 449.34 g/mol. Its IUPAC name is 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
PubChem CID10297573
Molecular FormulaC24H18Cl2N4O
Molecular Weight449.34 g/mol
Exact Mass448.09
IUPAC Name4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
SMILESCn1cncc1C(OCc1ccc(Cl)nc1-c1cccc(Cl)c1)c1ccc(C#N)cc1
InChIInChI=1S/C24H18Cl2N4O/c1-30-15-28-13-21(30)24(17-7-5-16(12-27)6-8-17)31-14-19-9-10-22(26)29-23(19)18-3-2-4-20(25)11-18/h2-11,13,15,24H,14H2,1H3
InChIKeyIFBXFLCRVVJFBJ-UHFFFAOYSA-N
XLogP5.97
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
CID 10226337
4-[[2-(3,5-dichlorophenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
CID 142662481
4-[[2-(3-methoxyphenyl)-4-nitrophenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile
CID 11374441
5-[(4-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-phenylphenyl)benzonitrile
CID 70135036
4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-hepta-1,3-dienylbenzonitrile
CID 75004286
4-[(2,4-dichlorophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile;hydrochloride
CID 70132811
4-[(3-chlorophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-naphthalen-1-ylbenzonitrile;hydrochloride
CID 70132734
4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-methoxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 58906527
6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
CID 10116169
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 22048492
5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole
CID 90713959
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]-2-quinolin-8-ylbenzonitrile
CID 70132180

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
The IUPAC name of 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile (CID 10297573) is 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
The canonical SMILES for 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile is Cn1cncc1C(OCc1ccc(Cl)nc1-c1cccc(Cl)c1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
The InChIKey is IFBXFLCRVVJFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O/c1-30-15-28-13-21(30)24(17-7-5-16(12-27)6-8-17)31-14-19-9-10-22(26)29-23(19)18-3-2-4-20(25)11-18/h2-11,13,15,24H,14H2,1H3.
What are the key properties of 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile?
4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile has a molecular weight of 449.34 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-2-(3-chlorophenyl)-3-pyridinyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile is sourced from PubChem (CID 10297573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).