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

C15H11BrCl2N2O2 — CID 110532332

IUPAC2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Br)c1OC
InChIInChI=1S/C15H11BrCl2N2O2/c1-21-12-4-3-7(13(16)14(12)22-2)15-19-10-5-8(17)9(18)6-11(10)20-15/h3-6H,1-2H3,(H,19,20)
InChIKeyKOCMXVPHWTVMRU-UHFFFAOYSA-N
MW402.08 g/mol
LogP5.32
Rot. Bonds3

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

2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole (PubChem CID 110532332) has the molecular formula C15H11BrCl2N2O2 and a molecular weight of 402.08 g/mol. Its IUPAC name is 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
PubChem CID110532332
Molecular FormulaC15H11BrCl2N2O2
Molecular Weight402.08 g/mol
Exact Mass399.94
IUPAC Name2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Br)c1OC
InChIInChI=1S/C15H11BrCl2N2O2/c1-21-12-4-3-7(13(16)14(12)22-2)15-19-10-5-8(17)9(18)6-11(10)20-15/h3-6H,1-2H3,(H,19,20)
InChIKeyKOCMXVPHWTVMRU-UHFFFAOYSA-N
XLogP5.32
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.08
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole (CID 110532332) is 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole is COc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Br)c1OC.
What is the InChIKey of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole?
The InChIKey is KOCMXVPHWTVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O2/c1-21-12-4-3-7(13(16)14(12)22-2)15-19-10-5-8(17)9(18)6-11(10)20-15/h3-6H,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole?
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole has a molecular weight of 402.08 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole is sourced from PubChem (CID 110532332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).