1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine

C13H9BrClN3 — CID 43659474

IUPAC1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1ccccc1Br
InChIInChI=1S/C13H9BrClN3/c14-9-3-1-2-4-11(9)18-12-6-5-8(15)7-10(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyCOWZDFOFEXFHBE-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.02
Rot. Bonds1

About 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine

1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine (PubChem CID 43659474) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
PubChem CID43659474
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1ccccc1Br
InChIInChI=1S/C13H9BrClN3/c14-9-3-1-2-4-11(9)18-12-6-5-8(15)7-10(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyCOWZDFOFEXFHBE-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

5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine
CID 43659401
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine
CID 43659409
5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
CID 103415731
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003226
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine (CID 43659474) is 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine?
The InChIKey is COWZDFOFEXFHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c14-9-3-1-2-4-11(9)18-12-6-5-8(15)7-10(12)17-13(18)16/h1-7H,(H2,16,17).
What are the key properties of 1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine?
1-(2-bromophenyl)-5-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-(2-bromophenyl)-5-chlorobenzimidazol-2-amine is sourced from PubChem (CID 43659474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).