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

C17H17BrN2O3 — CID 110533986

IUPAC2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-4-23-14-6-5-10(7-11(14)18)17-19-12-8-15(21-2)16(22-3)9-13(12)20-17/h5-9H,4H2,1-3H3,(H,19,20)
InChIKeyAWOVAUQHQYTQLQ-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.41
Rot. Bonds5

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

2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 110533986) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID110533986
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-4-23-14-6-5-10(7-11(14)18)17-19-12-8-15(21-2)16(22-3)9-13(12)20-17/h5-9H,4H2,1-3H3,(H,19,20)
InChIKeyAWOVAUQHQYTQLQ-UHFFFAOYSA-N
XLogP4.41
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532053
5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110536356
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811507
5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110537311
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 103597133
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 139654895
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (CID 110533986) is 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is CCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is AWOVAUQHQYTQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-4-23-14-6-5-10(7-11(14)18)17-19-12-8-15(21-2)16(22-3)9-13(12)20-17/h5-9H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 377.24 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 110533986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).