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

C17H17BrN2O4 — CID 110532927

IUPAC2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(OC)c(OC)c3Br)[nH]c2cc1OC
InChIInChI=1S/C17H17BrN2O4/c1-21-12-6-5-9(15(18)16(12)24-4)17-19-10-7-13(22-2)14(23-3)8-11(10)20-17/h5-8H,1-4H3,(H,19,20)
InChIKeyPLIIXIZGRVLQEG-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.03
Rot. Bonds5

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

2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 110532927) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID110532927
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(OC)c(OC)c3Br)[nH]c2cc1OC
InChIInChI=1S/C17H17BrN2O4/c1-21-12-6-5-9(15(18)16(12)24-4)17-19-10-7-13(22-2)14(23-3)8-11(10)20-17/h5-8H,1-4H3,(H,19,20)
InChIKeyPLIIXIZGRVLQEG-UHFFFAOYSA-N
XLogP4.03
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532332
2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 82144267
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 106688276
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532053
2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110536356

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (CID 110532927) is 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(-c3ccc(OC)c(OC)c3Br)[nH]c2cc1OC.
What is the InChIKey of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is PLIIXIZGRVLQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-21-12-6-5-9(15(18)16(12)24-4)17-19-10-7-13(22-2)14(23-3)8-11(10)20-17/h5-8H,1-4H3,(H,19,20).
What are the key properties of 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 393.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 110532927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).