2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole

C18H20N2O2 — CID 110538773

IUPAC2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCCOc1c(OC)cccc1-c1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C18H20N2O2/c1-5-22-17-13(7-6-8-16(17)21-4)18-19-14-9-11(2)12(3)10-15(14)20-18/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyFQRHMLJQCBNEOO-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.25
Rot. Bonds4

About 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole

2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 110538773) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID110538773
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCCOc1c(OC)cccc1-c1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C18H20N2O2/c1-5-22-17-13(7-6-8-16(17)21-4)18-19-14-9-11(2)12(3)10-15(14)20-18/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyFQRHMLJQCBNEOO-UHFFFAOYSA-N
XLogP4.25
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole (CID 110538773) is 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole is CCOc1c(OC)cccc1-c1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is FQRHMLJQCBNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-5-22-17-13(7-6-8-16(17)21-4)18-19-14-9-11(2)12(3)10-15(14)20-18/h6-10H,5H2,1-4H3,(H,19,20).
What are the key properties of 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 110538773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).