3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol

C23H17N3O — CID 168852579

IUPAC3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1/C=N/c1ccccc1
InChIInChI=1S/C23H17N3O/c27-23-21(17-11-5-7-13-20(17)26-23)22-18(14-24-15-8-2-1-3-9-15)16-10-4-6-12-19(16)25-22/h1-14,25-27H/b24-14+
InChIKeyKMMXJVJMTTWXPV-ZVHZXABRSA-N
MW351.41 g/mol
LogP5.77
Rot. Bonds3

About 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol

3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol (PubChem CID 168852579) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
PubChem CID168852579
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1/C=N/c1ccccc1
InChIInChI=1S/C23H17N3O/c27-23-21(17-11-5-7-13-20(17)26-23)22-18(14-24-15-8-2-1-3-9-15)16-10-4-6-12-19(16)25-22/h1-14,25-27H/b24-14+
InChIKeyKMMXJVJMTTWXPV-ZVHZXABRSA-N
XLogP5.77
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605031
3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 136995976
4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
CID 137107988
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
3-[(E)-(4-bromo-1H-pyrazol-5-yl)iminomethyl]-1H-indol-2-ol
CID 135697873
3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol
CID 136500258
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029

Frequently Asked Questions

What is the IUPAC name of 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol (CID 168852579) is 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1/C=N/c1ccccc1.
What is the InChIKey of 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol?
The InChIKey is KMMXJVJMTTWXPV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-21(17-11-5-7-13-20(17)26-23)22-18(14-24-15-8-2-1-3-9-15)16-10-4-6-12-19(16)25-22/h1-14,25-27H/b24-14+.
What are the key properties of 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol?
3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol has a molecular weight of 351.41 g/mol, XLogP of 5.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 168852579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).