2-benzyl-4-bromoindazole;4-bromo-1H-indazole

C21H16Br2N4 — CID 67187568

IUPAC2-benzyl-4-bromoindazole;4-bromo-1H-indazole
SMILESBrc1cccc2[nH]ncc12.Brc1cccc2nn(Cc3ccccc3)cc12
InChIInChI=1S/C14H11BrN2.C7H5BrN2/c15-13-7-4-8-14-12(13)10-17(16-14)9-11-5-2-1-3-6-11;8-6-2-1-3-7-5(6)4-9-10-7/h1-8,10H,9H2;1-4H,(H,9,10)
InChIKeyKOURRCJRNGQMQH-UHFFFAOYSA-N
MW484.20 g/mol
LogP6.17
Rot. Bonds2

About 2-benzyl-4-bromoindazole;4-bromo-1H-indazole

2-benzyl-4-bromoindazole;4-bromo-1H-indazole (PubChem CID 67187568) has the molecular formula C21H16Br2N4 and a molecular weight of 484.20 g/mol. Its IUPAC name is 2-benzyl-4-bromoindazole;4-bromo-1H-indazole.

Molecular Properties

Compound Name2-benzyl-4-bromoindazole;4-bromo-1H-indazole
PubChem CID67187568
Molecular FormulaC21H16Br2N4
Molecular Weight484.20 g/mol
Exact Mass481.97
IUPAC Name2-benzyl-4-bromoindazole;4-bromo-1H-indazole
SMILESBrc1cccc2[nH]ncc12.Brc1cccc2nn(Cc3ccccc3)cc12
InChIInChI=1S/C14H11BrN2.C7H5BrN2/c15-13-7-4-8-14-12(13)10-17(16-14)9-11-5-2-1-3-6-11;8-6-2-1-3-7-5(6)4-9-10-7/h1-8,10H,9H2;1-4H,(H,9,10)
InChIKeyKOURRCJRNGQMQH-UHFFFAOYSA-N
XLogP6.17
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.20
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-4-bromoindazole;4-bromo-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-bromoindazole;4-bromo-1H-indazole?
The IUPAC name of 2-benzyl-4-bromoindazole;4-bromo-1H-indazole (CID 67187568) is 2-benzyl-4-bromoindazole;4-bromo-1H-indazole.
What is the SMILES notation for 2-benzyl-4-bromoindazole;4-bromo-1H-indazole?
The canonical SMILES for 2-benzyl-4-bromoindazole;4-bromo-1H-indazole is Brc1cccc2[nH]ncc12.Brc1cccc2nn(Cc3ccccc3)cc12.
What is the InChIKey of 2-benzyl-4-bromoindazole;4-bromo-1H-indazole?
The InChIKey is KOURRCJRNGQMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2.C7H5BrN2/c15-13-7-4-8-14-12(13)10-17(16-14)9-11-5-2-1-3-6-11;8-6-2-1-3-7-5(6)4-9-10-7/h1-8,10H,9H2;1-4H,(H,9,10).
What are the key properties of 2-benzyl-4-bromoindazole;4-bromo-1H-indazole?
2-benzyl-4-bromoindazole;4-bromo-1H-indazole has a molecular weight of 484.20 g/mol, XLogP of 6.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-bromoindazole;4-bromo-1H-indazole is sourced from PubChem (CID 67187568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).