3-benzyl-2-phenylindazole

C20H16N2 — CID 25217782

IUPAC3-benzyl-2-phenylindazole
SMILESc1ccc(Cc2c3ccccc3nn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-20-18-13-7-8-14-19(18)21-22(20)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyWTUKUQGTEPCJBH-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.62
Rot. Bonds3

About 3-benzyl-2-phenylindazole

3-benzyl-2-phenylindazole (PubChem CID 25217782) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-benzyl-2-phenylindazole.

Molecular Properties

Compound Name3-benzyl-2-phenylindazole
PubChem CID25217782
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name3-benzyl-2-phenylindazole
SMILESc1ccc(Cc2c3ccccc3nn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-20-18-13-7-8-14-19(18)21-22(20)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyWTUKUQGTEPCJBH-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-2-phenylindazole
CID 25217909
4-phenylcyclopenta[c]cinnoline
CID 12572463
5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole
CID 154121166
3-tert-butyl-2-phenylindazole
CID 21044962
2-(3-ethylphenyl)-3-phenylindazole
CID 169225849
5-benzyl-1-phenylpyrazole
CID 14003889
N-methyl-1-(2-methylindazol-3-yl)methanamine
CID 84717612
1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline
CID 71674113
2-benzylindazole-3-carbaldehyde
CID 122574247
4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194898
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
phenyl(113C)methylbenzene
CID 11194569

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenylindazole?
The IUPAC name of 3-benzyl-2-phenylindazole (CID 25217782) is 3-benzyl-2-phenylindazole.
What is the SMILES notation for 3-benzyl-2-phenylindazole?
The canonical SMILES for 3-benzyl-2-phenylindazole is c1ccc(Cc2c3ccccc3nn2-c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-phenylindazole?
The InChIKey is WTUKUQGTEPCJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-20-18-13-7-8-14-19(18)21-22(20)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 3-benzyl-2-phenylindazole?
3-benzyl-2-phenylindazole has a molecular weight of 284.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenylindazole is sourced from PubChem (CID 25217782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).