2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole

C16H15BrN2O3 — CID 110534918

IUPAC2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Br
InChIInChI=1S/C16H15BrN2O3/c1-20-13-5-4-9(6-10(13)17)16-18-11-7-14(21-2)15(22-3)8-12(11)19-16/h4-8H,1-3H3,(H,18,19)
InChIKeyOLHFBNZQFBQMDR-UHFFFAOYSA-N
MW363.21 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole

2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 110534918) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID110534918
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Br
InChIInChI=1S/C16H15BrN2O3/c1-20-13-5-4-9(6-10(13)17)16-18-11-7-14(21-2)15(22-3)8-12(11)19-16/h4-8H,1-3H3,(H,18,19)
InChIKeyOLHFBNZQFBQMDR-UHFFFAOYSA-N
XLogP4.02
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986
5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532053
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811507
2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821859
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110537311
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (CID 110534918) is 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is COc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is OLHFBNZQFBQMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-20-13-5-4-9(6-10(13)17)16-18-11-7-14(21-2)15(22-3)8-12(11)19-16/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 363.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 110534918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).