2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol

C18H18N2O2 — CID 166008912

IUPAC2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol
SMILESCOc1ccc(/N=C(\C)c2c(O)c3ccccc3n2C)cc1
InChIInChI=1S/C18H18N2O2/c1-12(19-13-8-10-14(22-3)11-9-13)17-18(21)15-6-4-5-7-16(15)20(17)2/h4-11,21H,1-3H3/b19-12+
InChIKeyAECDQVUQLBQXHJ-XDHOZWIPSA-N
MW294.35 g/mol
LogP4.03
Rot. Bonds3

About 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol

2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol (PubChem CID 166008912) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol.

Molecular Properties

Compound Name2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol
PubChem CID166008912
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol
SMILESCOc1ccc(/N=C(\C)c2c(O)c3ccccc3n2C)cc1
InChIInChI=1S/C18H18N2O2/c1-12(19-13-8-10-14(22-3)11-9-13)17-18(21)15-6-4-5-7-16(15)20(17)2/h4-11,21H,1-3H3/b19-12+
InChIKeyAECDQVUQLBQXHJ-XDHOZWIPSA-N
XLogP4.03
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol?
The IUPAC name of 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol (CID 166008912) is 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol.
What is the SMILES notation for 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol?
The canonical SMILES for 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol is COc1ccc(/N=C(\C)c2c(O)c3ccccc3n2C)cc1.
What is the InChIKey of 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol?
The InChIKey is AECDQVUQLBQXHJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(19-13-8-10-14(22-3)11-9-13)17-18(21)15-6-4-5-7-16(15)20(17)2/h4-11,21H,1-3H3/b19-12+.
What are the key properties of 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol?
2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol has a molecular weight of 294.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol is sourced from PubChem (CID 166008912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).