1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine

C15H14BrN3O2 — CID 83003226

IUPAC1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine
SMILESCOc1cc2nc(N)n(-c3ccccc3Br)c2cc1OC
InChIInChI=1S/C15H14BrN3O2/c1-20-13-7-10-12(8-14(13)21-2)19(15(17)18-10)11-6-4-3-5-9(11)16/h3-8H,1-2H3,(H2,17,18)
InChIKeyJMFJAVBDJFKJLZ-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine

1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine (PubChem CID 83003226) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine
PubChem CID83003226
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine
SMILESCOc1cc2nc(N)n(-c3ccccc3Br)c2cc1OC
InChIInChI=1S/C15H14BrN3O2/c1-20-13-7-10-12(8-14(13)21-2)19(15(17)18-10)11-6-4-3-5-9(11)16/h3-8H,1-2H3,(H2,17,18)
InChIKeyJMFJAVBDJFKJLZ-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
5,6-dimethoxy-1-phenylbenzimidazol-2-amine
CID 83008746
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230
1-(3-bromo-2-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637238
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
1-(4-bromo-2-chlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598406
5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
CID 103415731
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine (CID 83003226) is 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine is COc1cc2nc(N)n(-c3ccccc3Br)c2cc1OC.
What is the InChIKey of 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine?
The InChIKey is JMFJAVBDJFKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-20-13-7-10-12(8-14(13)21-2)19(15(17)18-10)11-6-4-3-5-9(11)16/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine?
1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine has a molecular weight of 348.20 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine is sourced from PubChem (CID 83003226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).