6-bromo-2-(3-iodophenyl)-1H-benzimidazole

C13H8BrIN2 — CID 64724141

IUPAC6-bromo-2-(3-iodophenyl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3cccc(I)c3)[nH]c2c1
InChIInChI=1S/C13H8BrIN2/c14-9-4-5-11-12(7-9)17-13(16-11)8-2-1-3-10(15)6-8/h1-7H,(H,16,17)
InChIKeyUJFFORQFLAMGNS-UHFFFAOYSA-N
MW399.03 g/mol
LogP4.60
Rot. Bonds1

About 6-bromo-2-(3-iodophenyl)-1H-benzimidazole

6-bromo-2-(3-iodophenyl)-1H-benzimidazole (PubChem CID 64724141) has the molecular formula C13H8BrIN2 and a molecular weight of 399.03 g/mol. Its IUPAC name is 6-bromo-2-(3-iodophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(3-iodophenyl)-1H-benzimidazole
PubChem CID64724141
Molecular FormulaC13H8BrIN2
Molecular Weight399.03 g/mol
Exact Mass397.89
IUPAC Name6-bromo-2-(3-iodophenyl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3cccc(I)c3)[nH]c2c1
InChIInChI=1S/C13H8BrIN2/c14-9-4-5-11-12(7-9)17-13(16-11)8-2-1-3-10(15)6-8/h1-7H,(H,16,17)
InChIKeyUJFFORQFLAMGNS-UHFFFAOYSA-N
XLogP4.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.03
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-bromo-2-(3-iodophenyl)-1H-benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
CID 84756442
2-[3-(6-bromo-1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione
CID 168518731
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole
CID 64723325
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-iodophenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(3-iodophenyl)-1H-benzimidazole (CID 64724141) is 6-bromo-2-(3-iodophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(3-iodophenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(3-iodophenyl)-1H-benzimidazole is Brc1ccc2nc(-c3cccc(I)c3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(3-iodophenyl)-1H-benzimidazole?
The InChIKey is UJFFORQFLAMGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrIN2/c14-9-4-5-11-12(7-9)17-13(16-11)8-2-1-3-10(15)6-8/h1-7H,(H,16,17).
What are the key properties of 6-bromo-2-(3-iodophenyl)-1H-benzimidazole?
6-bromo-2-(3-iodophenyl)-1H-benzimidazole has a molecular weight of 399.03 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-iodophenyl)-1H-benzimidazole is sourced from PubChem (CID 64724141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).