2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine

C17H14ClN5 — CID 67028634

IUPAC2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCn1ncnc1Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C17H14ClN5/c1-22-16(19-11-20-22)10-14-17(12-5-7-13(18)8-6-12)21-15-4-2-3-9-23(14)15/h2-9,11H,10H2,1H3
InChIKeyZWXKHXJMZCJVOO-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine

2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 67028634) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID67028634
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCn1ncnc1Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C17H14ClN5/c1-22-16(19-11-20-22)10-14-17(12-5-7-13(18)8-6-12)21-15-4-2-3-9-23(14)15/h2-9,11H,10H2,1H3
InChIKeyZWXKHXJMZCJVOO-UHFFFAOYSA-N
XLogP3.37
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253
2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015422
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
CID 67029035
2-(4-chlorophenoxy)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 18279274
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one
CID 67028507
4-(3-benzylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline
CID 56600426
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine (CID 67028634) is 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine is Cn1ncnc1Cc1c(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is ZWXKHXJMZCJVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-22-16(19-11-20-22)10-14-17(12-5-7-13(18)8-6-12)21-15-4-2-3-9-23(14)15/h2-9,11H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 323.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 67028634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).