(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine

C23H20N2O2 — CID 137309961

IUPAC(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine
SMILESC(=N/OCc1ccc(OCc2ccccc2)cc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-2-6-18(7-3-1)16-26-21-12-10-19(11-13-21)17-27-25-15-20-14-24-23-9-5-4-8-22(20)23/h1-15,24H,16-17H2/b25-15+
InChIKeyKPCSAKUSRPUIEJ-MFKUBSTISA-N
MW356.43 g/mol
LogP5.30
Rot. Bonds7

About (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine

(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine (PubChem CID 137309961) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine
PubChem CID137309961
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine
SMILESC(=N/OCc1ccc(OCc2ccccc2)cc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-2-6-18(7-3-1)16-26-21-12-10-19(11-13-21)17-27-25-15-20-14-24-23-9-5-4-8-22(20)23/h1-15,24H,16-17H2/b25-15+
InChIKeyKPCSAKUSRPUIEJ-MFKUBSTISA-N
XLogP5.30
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 137309965
[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 71769665
(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
CID 135538416
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
1-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 135784743
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine (CID 137309961) is (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine is C(=N/OCc1ccc(OCc2ccccc2)cc1)\c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine?
The InChIKey is KPCSAKUSRPUIEJ-MFKUBSTISA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-6-18(7-3-1)16-26-21-12-10-19(11-13-21)17-27-25-15-20-14-24-23-9-5-4-8-22(20)23/h1-15,24H,16-17H2/b25-15+.
What are the key properties of (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine?
(E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine has a molecular weight of 356.43 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-N-[(4-phenylmethoxyphenyl)methoxy]methanimine is sourced from PubChem (CID 137309961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).