6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine

C14H12BrN3O — CID 65347117

IUPAC6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccc(Br)cc32)c1
InChIInChI=1S/C14H12BrN3O/c1-19-11-4-2-3-10(8-11)18-13-7-9(15)5-6-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyVDTHWOVEPIDIIS-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.38
Rot. Bonds2

About 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine

6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine (PubChem CID 65347117) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
PubChem CID65347117
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccc(Br)cc32)c1
InChIInChI=1S/C14H12BrN3O/c1-19-11-4-2-3-10(8-11)18-13-7-9(15)5-6-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyVDTHWOVEPIDIIS-UHFFFAOYSA-N
XLogP3.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine (CID 65347117) is 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine is COc1cccc(-n2c(N)nc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is VDTHWOVEPIDIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-19-11-4-2-3-10(8-11)18-13-7-9(15)5-6-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine?
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 318.17 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 65347117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).