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

C20H13Cl2N3 — CID 10338890

IUPAC4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESClc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C20H13Cl2N3/c21-16-5-1-13(2-6-16)18-19(14-9-11-23-12-10-14)25-20(24-18)15-3-7-17(22)8-4-15/h1-12H,(H,24,25)
InChIKeyAWHRFPLTQPNOTD-UHFFFAOYSA-N
MW366.25 g/mol
LogP6.11
Rot. Bonds3

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

4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10338890) has the molecular formula C20H13Cl2N3 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10338890
Molecular FormulaC20H13Cl2N3
Molecular Weight366.25 g/mol
Exact Mass365.05
IUPAC Name4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESClc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C20H13Cl2N3/c21-16-5-1-13(2-6-16)18-19(14-9-11-23-12-10-14)25-20(24-18)15-3-7-17(22)8-4-15/h1-12H,(H,24,25)
InChIKeyAWHRFPLTQPNOTD-UHFFFAOYSA-N
XLogP6.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine (CID 10338890) is 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine is Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is AWHRFPLTQPNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3/c21-16-5-1-13(2-6-16)18-19(14-9-11-23-12-10-14)25-20(24-18)15-3-7-17(22)8-4-15/h1-12H,(H,24,25).
What are the key properties of 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 366.25 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(4-chlorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10338890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).