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

C18H19BrN2O4 — CID 110532053

IUPAC2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCCOc1cc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc(Br)c1OC
InChIInChI=1S/C18H19BrN2O4/c1-5-25-16-7-10(6-11(19)17(16)24-4)18-20-12-8-14(22-2)15(23-3)9-13(12)21-18/h6-9H,5H2,1-4H3,(H,20,21)
InChIKeyGCIKWRGXFMHBRB-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.42
Rot. Bonds6

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

2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 110532053) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID110532053
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCCOc1cc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc(Br)c1OC
InChIInChI=1S/C18H19BrN2O4/c1-5-25-16-7-10(6-11(19)17(16)24-4)18-20-12-8-14(22-2)15(23-3)9-13(12)21-18/h6-9H,5H2,1-4H3,(H,20,21)
InChIKeyGCIKWRGXFMHBRB-UHFFFAOYSA-N
XLogP4.42
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
2-(3-ethoxy-4-methoxy-5-nitrophenyl)-5,6-dimethyl-1H-benzimidazole
CID 110536462
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811507
2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110536356
2-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-1H-benzimidazole
CID 19224673
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927
2-[3-bromo-4-[(3-bromophenyl)methoxy]-5-ethoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224715
3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 139654895
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
CID 168554525

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (CID 110532053) is 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is CCOc1cc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc(Br)c1OC.
What is the InChIKey of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is GCIKWRGXFMHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-5-25-16-7-10(6-11(19)17(16)24-4)18-20-12-8-14(22-2)15(23-3)9-13(12)21-18/h6-9H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 407.26 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 110532053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).