2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol

C24H24N2O2 — CID 2731176

IUPAC2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Cc1cccc(C/N=C(\C)c2ccccc2O)c1)c1ccccc1O
InChIInChI=1S/C24H24N2O2/c1-17(21-10-3-5-12-23(21)27)25-15-19-8-7-9-20(14-19)16-26-18(2)22-11-4-6-13-24(22)28/h3-14,27-28H,15-16H2,1-2H3/b25-17+,26-18+
InChIKeyQVKHQUHERBPMEV-RPCRKUJJSA-N
MW372.47 g/mol
LogP5.12
Rot. Bonds6

About 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol

2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol (PubChem CID 2731176) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol
PubChem CID2731176
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Cc1cccc(C/N=C(\C)c2ccccc2O)c1)c1ccccc1O
InChIInChI=1S/C24H24N2O2/c1-17(21-10-3-5-12-23(21)27)25-15-19-8-7-9-20(14-19)16-26-18(2)22-11-4-6-13-24(22)28/h3-14,27-28H,15-16H2,1-2H3/b25-17+,26-18+
InChIKeyQVKHQUHERBPMEV-RPCRKUJJSA-N
XLogP5.12
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.12
H-Bond Donors ≤ 52
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-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol (CID 2731176) is 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol is C/C(=N\Cc1cccc(C/N=C(\C)c2ccccc2O)c1)c1ccccc1O.
What is the InChIKey of 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol?
The InChIKey is QVKHQUHERBPMEV-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17(21-10-3-5-12-23(21)27)25-15-19-8-7-9-20(14-19)16-26-18(2)22-11-4-6-13-24(22)28/h3-14,27-28H,15-16H2,1-2H3/b25-17+,26-18+.
What are the key properties of 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol?
2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol has a molecular weight of 372.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 2731176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).