5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole

C11H4Br2Cl2N2S — CID 82004493

IUPAC5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole
SMILESClc1cc2nc(-c3cc(Br)c(Br)s3)[nH]c2cc1Cl
InChIInChI=1S/C11H4Br2Cl2N2S/c12-4-1-9(18-10(4)13)11-16-7-2-5(14)6(15)3-8(7)17-11/h1-3H,(H,16,17)
InChIKeyZOGNGEUXMXBBHJ-UHFFFAOYSA-N
MW426.95 g/mol
LogP6.12
Rot. Bonds1

About 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole

5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole (PubChem CID 82004493) has the molecular formula C11H4Br2Cl2N2S and a molecular weight of 426.95 g/mol. Its IUPAC name is 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole
PubChem CID82004493
Molecular FormulaC11H4Br2Cl2N2S
Molecular Weight426.95 g/mol
Exact Mass423.78
IUPAC Name5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole
SMILESClc1cc2nc(-c3cc(Br)c(Br)s3)[nH]c2cc1Cl
InChIInChI=1S/C11H4Br2Cl2N2S/c12-4-1-9(18-10(4)13)11-16-7-2-5(14)6(15)3-8(7)17-11/h1-3H,(H,16,17)
InChIKeyZOGNGEUXMXBBHJ-UHFFFAOYSA-N
XLogP6.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole (CID 82004493) is 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole is Clc1cc2nc(-c3cc(Br)c(Br)s3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole?
The InChIKey is ZOGNGEUXMXBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2Cl2N2S/c12-4-1-9(18-10(4)13)11-16-7-2-5(14)6(15)3-8(7)17-11/h1-3H,(H,16,17).
What are the key properties of 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole?
5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole has a molecular weight of 426.95 g/mol, XLogP of 6.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4,5-dibromothiophen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 82004493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).