2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole

C13H7BrCl2N2 — CID 78912113

IUPAC2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(-c3cccc(Br)c3)[nH]c2cc1Cl
InChIInChI=1S/C13H7BrCl2N2/c14-8-3-1-2-7(4-8)13-17-11-5-9(15)10(16)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyYLETVNNKGMAQTR-UHFFFAOYSA-N
MW342.02 g/mol
LogP5.30
Rot. Bonds1

About 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole

2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole (PubChem CID 78912113) has the molecular formula C13H7BrCl2N2 and a molecular weight of 342.02 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
PubChem CID78912113
Molecular FormulaC13H7BrCl2N2
Molecular Weight342.02 g/mol
Exact Mass339.92
IUPAC Name2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(-c3cccc(Br)c3)[nH]c2cc1Cl
InChIInChI=1S/C13H7BrCl2N2/c14-8-3-1-2-7(4-8)13-17-11-5-9(15)10(16)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyYLETVNNKGMAQTR-UHFFFAOYSA-N
XLogP5.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.02
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 82005562
2-(3-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904047
[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
CID 84756442
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131
5,6-dichloro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 82005589
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole (CID 78912113) is 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole is Clc1cc2nc(-c3cccc(Br)c3)[nH]c2cc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole?
The InChIKey is YLETVNNKGMAQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2/c14-8-3-1-2-7(4-8)13-17-11-5-9(15)10(16)6-12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole?
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole has a molecular weight of 342.02 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole is sourced from PubChem (CID 78912113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).