4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole

C15H12Br2N2O2 — CID 91686527

IUPAC4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3c(Br)cc(Br)cc3[nH]2)c1
InChIInChI=1S/C15H12Br2N2O2/c1-20-10-3-8(4-11(7-10)21-2)15-18-13-6-9(16)5-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyUIBASYWWIUKTMH-UHFFFAOYSA-N
MW412.08 g/mol
LogP4.77
Rot. Bonds3

About 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole

4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole (PubChem CID 91686527) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
PubChem CID91686527
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3c(Br)cc(Br)cc3[nH]2)c1
InChIInChI=1S/C15H12Br2N2O2/c1-20-10-3-8(4-11(7-10)21-2)15-18-13-6-9(16)5-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyUIBASYWWIUKTMH-UHFFFAOYSA-N
XLogP4.77
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole (CID 91686527) is 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole is COc1cc(OC)cc(-c2nc3c(Br)cc(Br)cc3[nH]2)c1.
What is the InChIKey of 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole?
The InChIKey is UIBASYWWIUKTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-20-10-3-8(4-11(7-10)21-2)15-18-13-6-9(16)5-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole?
4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole has a molecular weight of 412.08 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 91686527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).