5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile

C21H11Cl3N4 — CID 10127144

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1-n1ccnc1
InChIInChI=1S/C21H11Cl3N4/c22-15-3-1-13(2-4-15)18-9-14(11-25)21(28-8-7-26-12-28)27-20(18)17-6-5-16(23)10-19(17)24/h1-10,12H
InChIKeyQJDJPGDIOUXVEC-UHFFFAOYSA-N
MW425.71 g/mol
LogP6.43
Rot. Bonds3

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile (PubChem CID 10127144) has the molecular formula C21H11Cl3N4 and a molecular weight of 425.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile
PubChem CID10127144
Molecular FormulaC21H11Cl3N4
Molecular Weight425.71 g/mol
Exact Mass424.00
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1-n1ccnc1
InChIInChI=1S/C21H11Cl3N4/c22-15-3-1-13(2-4-15)18-9-14(11-25)21(28-8-7-26-12-28)27-20(18)17-6-5-16(23)10-19(17)24/h1-10,12H
InChIKeyQJDJPGDIOUXVEC-UHFFFAOYSA-N
XLogP6.43
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.71
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile (CID 10127144) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1-n1ccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile?
The InChIKey is QJDJPGDIOUXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl3N4/c22-15-3-1-13(2-4-15)18-9-14(11-25)21(28-8-7-26-12-28)27-20(18)17-6-5-16(23)10-19(17)24/h1-10,12H.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile has a molecular weight of 425.71 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-imidazol-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 10127144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).