2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C21H18N6O — CID 118525773

IUPAC2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ccccc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1
InChIInChI=1S/C21H18N6O/c1-12-11-22-13(2)21-25-19(26-27(12)21)14-8-9-16-17(10-14)24-20(23-16)15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,23,24)
InChIKeyCYZRRJJJSPMKOX-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118525773) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118525773
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ccccc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1
InChIInChI=1S/C21H18N6O/c1-12-11-22-13(2)21-25-19(26-27(12)21)14-8-9-16-17(10-14)24-20(23-16)15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,23,24)
InChIKeyCYZRRJJJSPMKOX-UHFFFAOYSA-N
XLogP3.96
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 118525773) is 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is COc1ccccc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is CYZRRJJJSPMKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-12-11-22-13(2)21-25-19(26-27(12)21)14-8-9-16-17(10-14)24-20(23-16)15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,23,24).
What are the key properties of 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 370.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118525773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).