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

C18H13ClN6S — CID 118525810

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5ccc(Cl)s5)[nH]c4c3)nc12
InChIInChI=1S/C18H13ClN6S/c1-9-8-20-10(2)18-23-16(24-25(9)18)11-3-4-12-13(7-11)22-17(21-12)14-5-6-15(19)26-14/h3-8H,1-2H3,(H,21,22)
InChIKeyVUUCDKVXQXXASH-UHFFFAOYSA-N
MW380.86 g/mol
LogP4.67
Rot. Bonds2

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

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118525810) has the molecular formula C18H13ClN6S and a molecular weight of 380.86 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118525810
Molecular FormulaC18H13ClN6S
Molecular Weight380.86 g/mol
Exact Mass380.06
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5ccc(Cl)s5)[nH]c4c3)nc12
InChIInChI=1S/C18H13ClN6S/c1-9-8-20-10(2)18-23-16(24-25(9)18)11-3-4-12-13(7-11)22-17(21-12)14-5-6-15(19)26-14/h3-8H,1-2H3,(H,21,22)
InChIKeyVUUCDKVXQXXASH-UHFFFAOYSA-N
XLogP4.67
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 118525810) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(-c3ccc4nc(-c5ccc(Cl)s5)[nH]c4c3)nc12.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is VUUCDKVXQXXASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6S/c1-9-8-20-10(2)18-23-16(24-25(9)18)11-3-4-12-13(7-11)22-17(21-12)14-5-6-15(19)26-14/h3-8H,1-2H3,(H,21,22).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 380.86 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118525810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).