2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline

C13H8BrCl2N3 — CID 54919605

IUPAC2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H8BrCl2N3/c14-6-1-2-10-11(3-6)19-13(18-10)8-4-7(15)5-9(16)12(8)17/h1-5H,17H2,(H,18,19)
InChIKeyCGEDCFANXXOTOG-UHFFFAOYSA-N
MW357.04 g/mol
LogP4.88
Rot. Bonds1

About 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline

2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline (PubChem CID 54919605) has the molecular formula C13H8BrCl2N3 and a molecular weight of 357.04 g/mol. Its IUPAC name is 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline.

Molecular Properties

Compound Name2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
PubChem CID54919605
Molecular FormulaC13H8BrCl2N3
Molecular Weight357.04 g/mol
Exact Mass354.93
IUPAC Name2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H8BrCl2N3/c14-6-1-2-10-11(3-6)19-13(18-10)8-4-7(15)5-9(16)12(8)17/h1-5H,17H2,(H,18,19)
InChIKeyCGEDCFANXXOTOG-UHFFFAOYSA-N
XLogP4.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820784
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004257
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole
CID 107963330

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline?
The IUPAC name of 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline (CID 54919605) is 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline.
What is the SMILES notation for 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline?
The canonical SMILES for 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline is Nc1c(Cl)cc(Cl)cc1-c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline?
The InChIKey is CGEDCFANXXOTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2N3/c14-6-1-2-10-11(3-6)19-13(18-10)8-4-7(15)5-9(16)12(8)17/h1-5H,17H2,(H,18,19).
What are the key properties of 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline?
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline has a molecular weight of 357.04 g/mol, XLogP of 4.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline is sourced from PubChem (CID 54919605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).