6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H15Cl2N5 — CID 165415069

IUPAC6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc4ccccc4n3C)nn12
InChIInChI=1S/C17H15Cl2N5/c1-10-11(18)9-12(19)17-21-15(22-24(10)17)7-8-16-20-13-5-3-4-6-14(13)23(16)2/h3-6,9H,7-8H2,1-2H3
InChIKeyQPEZFQMZQUNMGR-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.02
Rot. Bonds3

About 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415069) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415069
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc4ccccc4n3C)nn12
InChIInChI=1S/C17H15Cl2N5/c1-10-11(18)9-12(19)17-21-15(22-24(10)17)7-8-16-20-13-5-3-4-6-14(13)23(16)2/h3-6,9H,7-8H2,1-2H3
InChIKeyQPEZFQMZQUNMGR-UHFFFAOYSA-N
XLogP4.02
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-Dichloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705281
NS13001
CID 44472568
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
CID 3968241
2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 798232
4-Chloro[1,2,4]triazolo[4,3-a]quinoxaline
CID 1126118
3-Chloro-2-methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)imidazo[1,2-b]pyridazine
CID 75201473
4-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-a]quinoxaline
CID 658284
5-Ethyl-2-methylbenzo[4,5]imidazo[1,2-a]pyrazolo[1,5-c][1,3,5]triazine
CID 947806
4-(3,5-dimethyl-1H-pyrazol-1-yl)tetrazolo[1,5-a]quinoxaline
CID 1509786
1-ethyl-N,N-dimethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 899295
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethyl-ethanamine
CID 5271993

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 165415069) is 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3nc4ccccc4n3C)nn12.
What is the InChIKey of 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QPEZFQMZQUNMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c1-10-11(18)9-12(19)17-21-15(22-24(10)17)7-8-16-20-13-5-3-4-6-14(13)23(16)2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 360.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-5-methyl-2-[2-(1-methylbenzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).