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

C18H20N2O5 — CID 18467672

IUPAC6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-22-12-5-6-14-13(9-12)19-18(21)20(14)10-11-7-15(23-2)17(25-4)16(8-11)24-3/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyHPEASKXOSUJGLS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.41
Rot. Bonds6

About 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one

6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 18467672) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID18467672
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-22-12-5-6-14-13(9-12)19-18(21)20(14)10-11-7-15(23-2)17(25-4)16(8-11)24-3/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyHPEASKXOSUJGLS-UHFFFAOYSA-N
XLogP2.41
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one (CID 18467672) is 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one is COc1ccc2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is HPEASKXOSUJGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-22-12-5-6-14-13(9-12)19-18(21)20(14)10-11-7-15(23-2)17(25-4)16(8-11)24-3/h5-9H,10H2,1-4H3,(H,19,21).
What are the key properties of 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one?
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 344.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 18467672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).