1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine

C16H15N5O — CID 135754944

IUPAC1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine
SMILES[H]/N=C(N)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N5O/c17-16(18)20-19-14-12-8-4-5-9-13(12)21(15(14)22)10-11-6-2-1-3-7-11/h1-9,22H,10H2,(H3,17,18)/b20-19+
InChIKeyZHXNRONOBXWDBR-FMQUCBEESA-N
MW293.33 g/mol
LogP3.37
Rot. Bonds3

About 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine

1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine (PubChem CID 135754944) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine.

Molecular Properties

Compound Name1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine
PubChem CID135754944
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine
SMILES[H]/N=C(N)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N5O/c17-16(18)20-19-14-12-8-4-5-9-13(12)21(15(14)22)10-11-6-2-1-3-7-11/h1-9,22H,10H2,(H3,17,18)/b20-19+
InChIKeyZHXNRONOBXWDBR-FMQUCBEESA-N
XLogP3.37
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
CID 2304852
4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 767162
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
CID 4264049
1-[1-(4-butylphenyl)-2-hydroxyindol-3-yl]iminoguanidine
CID 164517172
1-(1-benzyl-2-hydroxyindol-3-yl)imino-3-prop-2-enylthiourea
CID 3362907
N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-nitrobenzamide
CID 1098391
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
N-(1-benzyl-2-hydroxyindol-3-yl)imino-1,3-benzodioxole-5-carboxamide
CID 2592780
[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850
N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 1098392

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine?
The IUPAC name of 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine (CID 135754944) is 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine.
What is the SMILES notation for 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine?
The canonical SMILES for 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine is [H]/N=C(N)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine?
The InChIKey is ZHXNRONOBXWDBR-FMQUCBEESA-N. The full InChI is InChI=1S/C16H15N5O/c17-16(18)20-19-14-12-8-4-5-9-13(12)21(15(14)22)10-11-6-2-1-3-7-11/h1-9,22H,10H2,(H3,17,18)/b20-19+.
What are the key properties of 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine?
1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine has a molecular weight of 293.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine is sourced from PubChem (CID 135754944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).