2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine

C16H14ClN5 — CID 82566039

IUPAC2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClCc1nc2c(C3=NCCN3)cc(-c3ccccc3)cn2n1
InChIInChI=1S/C16H14ClN5/c17-9-14-20-16-13(15-18-6-7-19-15)8-12(10-22(16)21-14)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,18,19)
InChIKeyVBIPJGUCIMCCID-UHFFFAOYSA-N
MW311.78 g/mol
LogP2.48
Rot. Bonds3

About 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine

2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566039) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566039
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClCc1nc2c(C3=NCCN3)cc(-c3ccccc3)cn2n1
InChIInChI=1S/C16H14ClN5/c17-9-14-20-16-13(15-18-6-7-19-15)8-12(10-22(16)21-14)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,18,19)
InChIKeyVBIPJGUCIMCCID-UHFFFAOYSA-N
XLogP2.48
TPSA54.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 146983620
2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
CID 82566118
2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline
CID 91528278
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)
CID 175004780
2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-phenylpyridine
CID 166071235
2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
6-(4,5-dihydro-1H-imidazol-2-yl)-2-phenylimidazo[1,2-a]pyridine;dihydrochloride
CID 172894357
2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 57447514

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566039) is 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is ClCc1nc2c(C3=NCCN3)cc(-c3ccccc3)cn2n1.
What is the InChIKey of 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VBIPJGUCIMCCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c17-9-14-20-16-13(15-18-6-7-19-15)8-12(10-22(16)21-14)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,18,19).
What are the key properties of 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 311.78 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).