6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole

C17H15N5 — CID 50967174

IUPAC6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole
SMILESc1ccc(CCc2nc(-c3ccc4nc[nH]c4c3)n[nH]2)cc1
InChIInChI=1S/C17H15N5/c1-2-4-12(5-3-1)6-9-16-20-17(22-21-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19)(H,20,21,22)
InChIKeyPZKHNALVCQQUDG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.13
Rot. Bonds4

About 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole

6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole (PubChem CID 50967174) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole
PubChem CID50967174
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole
SMILESc1ccc(CCc2nc(-c3ccc4nc[nH]c4c3)n[nH]2)cc1
InChIInChI=1S/C17H15N5/c1-2-4-12(5-3-1)6-9-16-20-17(22-21-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19)(H,20,21,22)
InChIKeyPZKHNALVCQQUDG-UHFFFAOYSA-N
XLogP3.13
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylbenzimidazole
CID 11979
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
2-(2H-indazol-3-yl)-1H-1,3-benzodiazole
CID 135464491
Chitinase
CID 50921533
Hemi-Babim
CID 1282
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
Stk857277
CID 950737
2-[(2E)-2-benzylidenehydrazinyl]-1H-benzimidazole
CID 9592980
4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline
CID 803963

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole?
The IUPAC name of 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole (CID 50967174) is 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole is c1ccc(CCc2nc(-c3ccc4nc[nH]c4c3)n[nH]2)cc1.
What is the InChIKey of 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole?
The InChIKey is PZKHNALVCQQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-4-12(5-3-1)6-9-16-20-17(22-21-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19)(H,20,21,22).
What are the key properties of 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole?
6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole has a molecular weight of 289.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 50967174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).