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

C20H12Cl3N3 — CID 54172042

IUPAC4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESClc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C20H12Cl3N3/c21-15-3-1-2-13(10-15)19-18(12-6-8-24-9-7-12)25-20(26-19)14-4-5-16(22)17(23)11-14/h1-11H,(H,25,26)
InChIKeyOVRUKKHEBDEPOK-UHFFFAOYSA-N
MW400.70 g/mol
LogP6.77
Rot. Bonds3

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

4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 54172042) has the molecular formula C20H12Cl3N3 and a molecular weight of 400.70 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID54172042
Molecular FormulaC20H12Cl3N3
Molecular Weight400.70 g/mol
Exact Mass399.01
IUPAC Name4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESClc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C20H12Cl3N3/c21-15-3-1-2-13(10-15)19-18(12-6-8-24-9-7-12)25-20(26-19)14-4-5-16(22)17(23)11-14/h1-11H,(H,25,26)
InChIKeyOVRUKKHEBDEPOK-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine (CID 54172042) is 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine is Clc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is OVRUKKHEBDEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3N3/c21-15-3-1-2-13(10-15)19-18(12-6-8-24-9-7-12)25-20(26-19)14-4-5-16(22)17(23)11-14/h1-11H,(H,25,26).
What are the key properties of 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-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 4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 54172042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).