1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine

C13H9BrClN3 — CID 113316148

IUPAC1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1-c1cccc(Br)c1
InChIInChI=1S/C13H9BrClN3/c14-8-2-1-3-10(6-8)18-12-7-9(15)4-5-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyOMEDYYNLYNCOCQ-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.02
Rot. Bonds1

About 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine

1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine (PubChem CID 113316148) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
PubChem CID113316148
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1-c1cccc(Br)c1
InChIInChI=1S/C13H9BrClN3/c14-8-2-1-3-10(6-8)18-12-7-9(15)4-5-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyOMEDYYNLYNCOCQ-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
6-bromo-1-(2-bromo-3-chlorophenyl)benzimidazol-2-amine
CID 103480613
6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
CID 115470439
2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile
CID 65345207
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine (CID 113316148) is 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine?
The InChIKey is OMEDYYNLYNCOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c14-8-2-1-3-10(6-8)18-12-7-9(15)4-5-11(12)17-13(18)16/h1-7H,(H2,16,17).
What are the key properties of 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine?
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine has a molecular weight of 322.59 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine is sourced from PubChem (CID 113316148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).