1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine

C15H14BrN3O — CID 107575936

IUPAC1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2-c1cc(C)cc(Br)c1
InChIInChI=1S/C15H14BrN3O/c1-9-6-10(16)8-11(7-9)19-12-4-3-5-13(20-2)14(12)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyDHEODSYEKQNQCE-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine

1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine (PubChem CID 107575936) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
PubChem CID107575936
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2-c1cc(C)cc(Br)c1
InChIInChI=1S/C15H14BrN3O/c1-9-6-10(16)8-11(7-9)19-12-4-3-5-13(20-2)14(12)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyDHEODSYEKQNQCE-UHFFFAOYSA-N
XLogP3.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
1-(3-bromo-2-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637238
1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
CID 102854268
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637295
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
CID 82859398
1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 107575904
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
1-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576711
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
CID 107622292

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine (CID 107575936) is 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine is COc1cccc2c1nc(N)n2-c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
The InChIKey is DHEODSYEKQNQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-6-10(16)8-11(7-9)19-12-4-3-5-13(20-2)14(12)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine has a molecular weight of 332.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine is sourced from PubChem (CID 107575936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).