1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine

C11H13N5O2 — CID 4113708

IUPAC1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine
SMILES[H]/N=C(N)/N=N/c1c(O)n(C)c2ccc(OC)cc12
InChIInChI=1S/C11H13N5O2/c1-16-8-4-3-6(18-2)5-7(8)9(10(16)17)14-15-11(12)13/h3-5,17H,1-2H3,(H3,12,13)/b15-14+
InChIKeyOIJFUIGZHPKNNW-CCEZHUSRSA-N
MW247.26 g/mol
LogP1.87
Rot. Bonds2

About 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine

1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine (PubChem CID 4113708) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine
PubChem CID4113708
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine
SMILES[H]/N=C(N)/N=N/c1c(O)n(C)c2ccc(OC)cc12
InChIInChI=1S/C11H13N5O2/c1-16-8-4-3-6(18-2)5-7(8)9(10(16)17)14-15-11(12)13/h3-5,17H,1-2H3,(H3,12,13)/b15-14+
InChIKeyOIJFUIGZHPKNNW-CCEZHUSRSA-N
XLogP1.87
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
CID 4504327
1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)imino-3-(4-sulfamoylphenyl)thiourea
CID 137196945
N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4504322
1-[2-hydroxy-1-methyl-5-(trifluoromethyl)indol-3-yl]imino-3-(4-methoxyphenyl)thiourea
CID 156828499
4-(2,4-dichlorophenoxy)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminobutanamide
CID 4503940
2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide
CID 4504338
2-chloro-N-[6-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4504332
[1-[[bis(2-methoxyethyl)amino]methyl]-2-hydroxy-5-methoxyindol-3-yl]iminothiourea
CID 135437813
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
CID 4505123
methyl N-[2-hydroxy-5-methoxy-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]iminocarbamodithioate
CID 141477245
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine?
The IUPAC name of 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine (CID 4113708) is 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine.
What is the SMILES notation for 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine?
The canonical SMILES for 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine is [H]/N=C(N)/N=N/c1c(O)n(C)c2ccc(OC)cc12.
What is the InChIKey of 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine?
The InChIKey is OIJFUIGZHPKNNW-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-8-4-3-6(18-2)5-7(8)9(10(16)17)14-15-11(12)13/h3-5,17H,1-2H3,(H3,12,13)/b15-14+.
What are the key properties of 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine?
1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine has a molecular weight of 247.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine is sourced from PubChem (CID 4113708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).