5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine

C13H8BrCl2N3 — CID 43661710

IUPAC5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8BrCl2N3/c14-7-1-4-12-11(5-7)18-13(17)19(12)8-2-3-9(15)10(16)6-8/h1-6H,(H2,17,18)
InChIKeyUMIQSDXVSBYELA-UHFFFAOYSA-N
MW357.04 g/mol
LogP4.68
Rot. Bonds1

About 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine

5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine (PubChem CID 43661710) has the molecular formula C13H8BrCl2N3 and a molecular weight of 357.04 g/mol. Its IUPAC name is 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
PubChem CID43661710
Molecular FormulaC13H8BrCl2N3
Molecular Weight357.04 g/mol
Exact Mass354.93
IUPAC Name5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8BrCl2N3/c14-7-1-4-12-11(5-7)18-13(17)19(12)8-2-3-9(15)10(16)6-8/h1-6H,(H2,17,18)
InChIKeyUMIQSDXVSBYELA-UHFFFAOYSA-N
XLogP4.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263
5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
CID 43662186
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
CID 104727540
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
CID 43659506
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine (CID 43661710) is 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine is Nc1nc2cc(Br)ccc2n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine?
The InChIKey is UMIQSDXVSBYELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2N3/c14-7-1-4-12-11(5-7)18-13(17)19(12)8-2-3-9(15)10(16)6-8/h1-6H,(H2,17,18).
What are the key properties of 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine?
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine has a molecular weight of 357.04 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 43661710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).