2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine

C17H13ClN6 — CID 118956748

IUPAC2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESClc1ccccc1Cn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1
InChIInChI=1S/C17H13ClN6/c18-14-4-2-1-3-13(14)9-24-10-17(20-11-24)15-7-12(5-6-19-15)16-8-21-23-22-16/h1-8,10-11H,9H2,(H,21,22,23)
InChIKeyFEAWGCOCHKJAAI-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.43
Rot. Bonds4

About 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine

2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (PubChem CID 118956748) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
PubChem CID118956748
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESClc1ccccc1Cn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1
InChIInChI=1S/C17H13ClN6/c18-14-4-2-1-3-13(14)9-24-10-17(20-11-24)15-7-12(5-6-19-15)16-8-21-23-22-16/h1-8,10-11H,9H2,(H,21,22,23)
InChIKeyFEAWGCOCHKJAAI-UHFFFAOYSA-N
XLogP3.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
5-[(2-Chlorophenyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10245422
3-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-1H-pyrazole
CID 13669912
4-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-1H-[1,2,3]triazole
CID 13669913
5-benzyl-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
CID 14727765
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine
CID 21055055
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine
CID 21055057
2-[(3-Chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine
CID 24745333
N-(2-chloro-4-fluorobenzyl)-2,3-dimethyl-6-(1H-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
CID 44583632
US10273222, Example 62
CID 90407594
3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
CID 118978643

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (CID 118956748) is 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is Clc1ccccc1Cn1cnc(-c2cc(-c3cn[nH]n3)ccn2)c1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The InChIKey is FEAWGCOCHKJAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c18-14-4-2-1-3-13(14)9-24-10-17(20-11-24)15-7-12(5-6-19-15)16-8-21-23-22-16/h1-8,10-11H,9H2,(H,21,22,23).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine has a molecular weight of 336.79 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 118956748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).