7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole

C17H13BrN4 — CID 154800898

IUPAC7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole
SMILESBrc1cccc2cn(Cc3nccn3-c3ccccc3)nc12
InChIInChI=1S/C17H13BrN4/c18-15-8-4-5-13-11-21(20-17(13)15)12-16-19-9-10-22(16)14-6-2-1-3-7-14/h1-11H,12H2
InChIKeyDVZWHPKSFAUGEH-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.03
Rot. Bonds3

About 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole

7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole (PubChem CID 154800898) has the molecular formula C17H13BrN4 and a molecular weight of 353.22 g/mol. Its IUPAC name is 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole.

Molecular Properties

Compound Name7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole
PubChem CID154800898
Molecular FormulaC17H13BrN4
Molecular Weight353.22 g/mol
Exact Mass352.03
IUPAC Name7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole
SMILESBrc1cccc2cn(Cc3nccn3-c3ccccc3)nc12
InChIInChI=1S/C17H13BrN4/c18-15-8-4-5-13-11-21(20-17(13)15)12-16-19-9-10-22(16)14-6-2-1-3-7-14/h1-11H,12H2
InChIKeyDVZWHPKSFAUGEH-UHFFFAOYSA-N
XLogP4.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]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 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole?
The IUPAC name of 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole (CID 154800898) is 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole.
What is the SMILES notation for 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole?
The canonical SMILES for 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole is Brc1cccc2cn(Cc3nccn3-c3ccccc3)nc12.
What is the InChIKey of 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole?
The InChIKey is DVZWHPKSFAUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4/c18-15-8-4-5-13-11-21(20-17(13)15)12-16-19-9-10-22(16)14-6-2-1-3-7-14/h1-11H,12H2.
What are the key properties of 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole?
7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole has a molecular weight of 353.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(1-phenylimidazol-2-yl)methyl]indazole is sourced from PubChem (CID 154800898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).