2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole

C19H22N2O4 — CID 110536356

IUPAC2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c(OCC)c1
InChIInChI=1S/C19H22N2O4/c1-5-24-12-7-8-13(16(9-12)25-6-2)19-20-14-10-17(22-3)18(23-4)11-15(14)21-19/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyVSMRLYHSTNWXTH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.04
Rot. Bonds7

About 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole

2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 110536356) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID110536356
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c(OCC)c1
InChIInChI=1S/C19H22N2O4/c1-5-24-12-7-8-13(16(9-12)25-6-2)19-20-14-10-17(22-3)18(23-4)11-15(14)21-19/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyVSMRLYHSTNWXTH-UHFFFAOYSA-N
XLogP4.04
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole (CID 110536356) is 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is CCOc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is VSMRLYHSTNWXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-24-12-7-8-13(16(9-12)25-6-2)19-20-14-10-17(22-3)18(23-4)11-15(14)21-19/h7-11H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole?
2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 342.40 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 110536356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).