6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole

C17H15N5 — CID 53379085

IUPAC6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole
SMILESc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1
InChIInChI=1S/C17H15N5/c1-2-4-13(5-3-1)8-9-22-11-17(20-21-22)14-6-7-15-16(10-14)19-12-18-15/h1-7,10-12H,8-9H2,(H,18,19)
InChIKeyLSZPAASTOYLCQH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.06
Rot. Bonds4

About 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole

6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole (PubChem CID 53379085) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole
PubChem CID53379085
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole
SMILESc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1
InChIInChI=1S/C17H15N5/c1-2-4-13(5-3-1)8-9-22-11-17(20-21-22)14-6-7-15-16(10-14)19-12-18-15/h1-7,10-12H,8-9H2,(H,18,19)
InChIKeyLSZPAASTOYLCQH-UHFFFAOYSA-N
XLogP3.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole?
The IUPAC name of 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole (CID 53379085) is 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole is c1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1.
What is the InChIKey of 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole?
The InChIKey is LSZPAASTOYLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-4-13(5-3-1)8-9-22-11-17(20-21-22)14-6-7-15-16(10-14)19-12-18-15/h1-7,10-12H,8-9H2,(H,18,19).
What are the key properties of 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole?
6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole has a molecular weight of 289.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 53379085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).