3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine

C20H12Cl3N3 — CID 139780407

IUPAC3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine
SMILESClc1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2cccnc2)cc1
InChIInChI=1S/C20H12Cl3N3/c21-14-8-6-12(7-9-14)18-19(13-3-2-10-24-11-13)26-20(25-18)17-15(22)4-1-5-16(17)23/h1-11H,(H,25,26)
InChIKeyJAFHVBMOAGKVFG-UHFFFAOYSA-N
MW400.70 g/mol
LogP6.77
Rot. Bonds3

About 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine

3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine (PubChem CID 139780407) has the molecular formula C20H12Cl3N3 and a molecular weight of 400.70 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine
PubChem CID139780407
Molecular FormulaC20H12Cl3N3
Molecular Weight400.70 g/mol
Exact Mass399.01
IUPAC Name3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine
SMILESClc1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2cccnc2)cc1
InChIInChI=1S/C20H12Cl3N3/c21-14-8-6-12(7-9-14)18-19(13-3-2-10-24-11-13)26-20(25-18)17-15(22)4-1-5-16(17)23/h1-11H,(H,25,26)
InChIKeyJAFHVBMOAGKVFG-UHFFFAOYSA-N
XLogP6.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
3-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]pyridine
CID 150000034
5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523727
3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline
CID 54208011
4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole
CID 134119534
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54445074
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
4-[4-(4-chlorophenyl)-2-[2-(methoxymethyl)-6-methylphenyl]-1H-imidazol-5-yl]pyridine
CID 54259769
4-[4-(4-chlorophenyl)-2-(2-methyl-6-prop-2-enylphenyl)-1H-imidazol-5-yl]pyridine
CID 54303313
4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54276997
6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine
CID 68866740

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine?
The IUPAC name of 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine (CID 139780407) is 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine is Clc1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2cccnc2)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine?
The InChIKey is JAFHVBMOAGKVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3N3/c21-14-8-6-12(7-9-14)18-19(13-3-2-10-24-11-13)26-20(25-18)17-15(22)4-1-5-16(17)23/h1-11H,(H,25,26).
What are the key properties of 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine?
3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine has a molecular weight of 400.70 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 139780407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).