4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide

C17H16N4O — CID 136656724

IUPAC4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide
SMILESCc1[nH]c2ccccc2c1C=NN=C(N)c1ccc(O)cc1
InChIInChI=1S/C17H16N4O/c1-11-15(14-4-2-3-5-16(14)20-11)10-19-21-17(18)12-6-8-13(22)9-7-12/h2-10,20,22H,1H3,(H2,18,21)
InChIKeyBBDBRRLKQUAMLC-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.92
Rot. Bonds3

About 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide

4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide (PubChem CID 136656724) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide
PubChem CID136656724
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide
SMILESCc1[nH]c2ccccc2c1C=NN=C(N)c1ccc(O)cc1
InChIInChI=1S/C17H16N4O/c1-11-15(14-4-2-3-5-16(14)20-11)10-19-21-17(18)12-6-8-13(22)9-7-12/h2-10,20,22H,1H3,(H2,18,21)
InChIKeyBBDBRRLKQUAMLC-UHFFFAOYSA-N
XLogP2.92
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
CID 135758920
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
N-[(2-methyl-1H-indol-3-yl)methylidene]prop-2-enamide
CID 175538541
2-[(E)-[2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]guanidine
CID 155811139
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
CID 135458853
3-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 137153076
N',2-dimethyl-1H-indole-3-carboximidamide
CID 136995829

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide?
The IUPAC name of 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide (CID 136656724) is 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide.
What is the SMILES notation for 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide?
The canonical SMILES for 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide is Cc1[nH]c2ccccc2c1C=NN=C(N)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide?
The InChIKey is BBDBRRLKQUAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-15(14-4-2-3-5-16(14)20-11)10-19-21-17(18)12-6-8-13(22)9-7-12/h2-10,20,22H,1H3,(H2,18,21).
What are the key properties of 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide?
4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide has a molecular weight of 292.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide is sourced from PubChem (CID 136656724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).