N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide

C16H13N3O2 — CID 899922

IUPACN-(3-hydroxy-1-methylindol-2-yl)iminobenzamide
SMILESCn1c(/N=N/C(=O)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C16H13N3O2/c1-19-13-10-6-5-9-12(13)14(20)15(19)17-18-16(21)11-7-3-2-4-8-11/h2-10,20H,1H3/b18-17+
InChIKeyAERBLTGNMWWIMI-ISLYRVAYSA-N
MW279.30 g/mol
LogP3.81
Rot. Bonds2

About N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide

N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide (PubChem CID 899922) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-methylindol-2-yl)iminobenzamide
PubChem CID899922
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(3-hydroxy-1-methylindol-2-yl)iminobenzamide
SMILESCn1c(/N=N/C(=O)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C16H13N3O2/c1-19-13-10-6-5-9-12(13)14(20)15(19)17-18-16(21)11-7-3-2-4-8-11/h2-10,20H,1H3/b18-17+
InChIKeyAERBLTGNMWWIMI-ISLYRVAYSA-N
XLogP3.81
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide?
The IUPAC name of N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide (CID 899922) is N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide.
What is the SMILES notation for N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide?
The canonical SMILES for N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide is Cn1c(/N=N/C(=O)c2ccccc2)c(O)c2ccccc21.
What is the InChIKey of N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide?
The InChIKey is AERBLTGNMWWIMI-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19-13-10-6-5-9-12(13)14(20)15(19)17-18-16(21)11-7-3-2-4-8-11/h2-10,20H,1H3/b18-17+.
What are the key properties of N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide?
N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide has a molecular weight of 279.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-methylindol-2-yl)iminobenzamide is sourced from PubChem (CID 899922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).