2-benzylindazole

C14H12N2 — CID 5045916

IUPAC2-benzylindazole
SMILESc1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-13-8-4-5-9-14(13)15-16/h1-9,11H,10H2
InChIKeyVOXHHUSCWMAPPY-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.08
Rot. Bonds2

About 2-benzylindazole

2-benzylindazole (PubChem CID 5045916) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-benzylindazole.

Molecular Properties

Compound Name2-benzylindazole
PubChem CID5045916
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-benzylindazole
SMILESc1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-13-8-4-5-9-14(13)15-16/h1-9,11H,10H2
InChIKeyVOXHHUSCWMAPPY-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylindazole?
The IUPAC name of 2-benzylindazole (CID 5045916) is 2-benzylindazole.
What is the SMILES notation for 2-benzylindazole?
The canonical SMILES for 2-benzylindazole is c1ccc(Cn2cc3ccccc3n2)cc1.
What is the InChIKey of 2-benzylindazole?
The InChIKey is VOXHHUSCWMAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-13-8-4-5-9-14(13)15-16/h1-9,11H,10H2.
What are the key properties of 2-benzylindazole?
2-benzylindazole has a molecular weight of 208.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylindazole is sourced from PubChem (CID 5045916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).