6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C26H19Cl2N5O2 — CID 10278841

IUPAC6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1cncc1C(OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
InChIKeyBHKKLGROGAROGK-UHFFFAOYSA-N
MW504.38 g/mol
LogP5.14
Rot. Bonds6

About 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 10278841) has the molecular formula C26H19Cl2N5O2 and a molecular weight of 504.38 g/mol. Its IUPAC name is 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID10278841
Molecular FormulaC26H19Cl2N5O2
Molecular Weight504.38 g/mol
Exact Mass503.09
IUPAC Name6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1cncc1C(OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
InChIKeyBHKKLGROGAROGK-UHFFFAOYSA-N
XLogP5.14
TPSA96.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-YL)-methoxymethyl]-nicotinonitrile
CID 5287467
N-(3-chlorophenyl)-5-cyano-2-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzamide
CID 9869839
3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile
CID 10127337
4-({[4-chloro-2-(3-chlorophenyl)phenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 10138638
3-(3-chlorophenyl)-4-{[(4-cyano-2-fluorophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile
CID 11396942
3-(3-chlorophenyl)-4-{[(4-cyano-3-fluorophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile
CID 11442467
4-({[4-chloro-2-(4-chlorophenyl)phenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 10114664
4-({[4-chloro-2-(2-chlorophenyl)phenyl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 10182250
4-{[5-({[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methoxy}methyl)-1H-imidazol-1-yl]methyl}benzonitrile
CID 23646767
5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 9869309
6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-5-(3,5-difluoro-phenyl)-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 10116169
6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-5-(3,5-dichloro-phenyl)-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 10185561

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 10278841) is 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is Cn1cncc1C(OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is BHKKLGROGAROGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3.
What are the key properties of 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 504.38 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-chloro-4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 10278841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).