5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one

C19H22N2O5 — CID 71727074

IUPAC5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one
SMILESCOc1ccc2c(c1)n(C)c(=O)n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-20-15-10-13(23-2)6-7-14(15)21(19(20)22)11-12-8-16(24-3)18(26-5)17(9-12)25-4/h6-10H,11H2,1-5H3
InChIKeyNOEWIJLTGNWIEG-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.42
Rot. Bonds6

About 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one

5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one (PubChem CID 71727074) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one
PubChem CID71727074
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one
SMILESCOc1ccc2c(c1)n(C)c(=O)n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-20-15-10-13(23-2)6-7-14(15)21(19(20)22)11-12-8-16(24-3)18(26-5)17(9-12)25-4/h6-10H,11H2,1-5H3
InChIKeyNOEWIJLTGNWIEG-UHFFFAOYSA-N
XLogP2.42
TPSA63.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one?
The IUPAC name of 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one (CID 71727074) is 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one.
What is the SMILES notation for 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one?
The canonical SMILES for 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one is COc1ccc2c(c1)n(C)c(=O)n2Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one?
The InChIKey is NOEWIJLTGNWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-20-15-10-13(23-2)6-7-14(15)21(19(20)22)11-12-8-16(24-3)18(26-5)17(9-12)25-4/h6-10H,11H2,1-5H3.
What are the key properties of 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one?
5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one has a molecular weight of 358.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-one is sourced from PubChem (CID 71727074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).