6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole

C15H13BrN2O2 — CID 126648647

IUPAC6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2cnc3ccc(Br)cc32)cc1OC
InChIInChI=1S/C15H13BrN2O2/c1-19-14-6-4-11(8-15(14)20-2)18-9-17-12-5-3-10(16)7-13(12)18/h3-9H,1-2H3
InChIKeyLEINGTKLUOPOIO-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.81
Rot. Bonds3

About 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole

6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole (PubChem CID 126648647) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole
PubChem CID126648647
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2cnc3ccc(Br)cc32)cc1OC
InChIInChI=1S/C15H13BrN2O2/c1-19-14-6-4-11(8-15(14)20-2)18-9-17-12-5-3-10(16)7-13(12)18/h3-9H,1-2H3
InChIKeyLEINGTKLUOPOIO-UHFFFAOYSA-N
XLogP3.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazole
CID 171806398
6-bromo-1-(4-methoxyphenyl)benzimidazole
CID 71295672
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 164609173
[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine
CID 22693579
6-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole
CID 166635607
6-methoxy-1-phenylbenzimidazole
CID 652633
1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
CID 107623243
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
3-(3,4-dimethylphenyl)benzimidazole-5-carbonitrile
CID 122422823
5,6-dimethoxy-1-[4-[(sulfinatoamino)methyl]phenyl]benzimidazole
CID 155099993
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole?
The IUPAC name of 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole (CID 126648647) is 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole is COc1ccc(-n2cnc3ccc(Br)cc32)cc1OC.
What is the InChIKey of 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole?
The InChIKey is LEINGTKLUOPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-19-14-6-4-11(8-15(14)20-2)18-9-17-12-5-3-10(16)7-13(12)18/h3-9H,1-2H3.
What are the key properties of 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole?
6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole has a molecular weight of 333.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole is sourced from PubChem (CID 126648647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).