1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine

C13H7BrCl3N3 — CID 107791619

IUPAC1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H7BrCl3N3/c14-6-4-5-9(11(17)10(6)16)20-12-7(15)2-1-3-8(12)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyXVSYKSWZFDNWCG-UHFFFAOYSA-N
MW391.48 g/mol
LogP5.33
Rot. Bonds1

About 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine

1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine (PubChem CID 107791619) has the molecular formula C13H7BrCl3N3 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
PubChem CID107791619
Molecular FormulaC13H7BrCl3N3
Molecular Weight391.48 g/mol
Exact Mass388.89
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H7BrCl3N3/c14-6-4-5-9(11(17)10(6)16)20-12-7(15)2-1-3-8(12)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyXVSYKSWZFDNWCG-UHFFFAOYSA-N
XLogP5.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 107791596
1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107791625
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
CID 107575892
7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
CID 102806317
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
7-chlorobenzimidazole-1,2-diamine
CID 84618531
1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107791621
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
7-chloro-1-(3-methylsulfanylphenyl)benzimidazol-2-amine
CID 43661717

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine (CID 107791619) is 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1-c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine?
The InChIKey is XVSYKSWZFDNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3N3/c14-6-4-5-9(11(17)10(6)16)20-12-7(15)2-1-3-8(12)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine?
1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine has a molecular weight of 391.48 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine is sourced from PubChem (CID 107791619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).