1-benzyl-N'-hydroxyindole-5-carboximidamide

C16H15N3O — CID 107920718

IUPAC1-benzyl-N'-hydroxyindole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O/c17-16(18-20)14-6-7-15-13(10-14)8-9-19(15)11-12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,18)
InChIKeyZXBAWGUSRPCLKX-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.78
Rot. Bonds3

About 1-benzyl-N'-hydroxyindole-5-carboximidamide

1-benzyl-N'-hydroxyindole-5-carboximidamide (PubChem CID 107920718) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-benzyl-N'-hydroxyindole-5-carboximidamide.

Molecular Properties

Compound Name1-benzyl-N'-hydroxyindole-5-carboximidamide
PubChem CID107920718
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-benzyl-N'-hydroxyindole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O/c17-16(18-20)14-6-7-15-13(10-14)8-9-19(15)11-12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,18)
InChIKeyZXBAWGUSRPCLKX-UHFFFAOYSA-N
XLogP2.78
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
CID 107920748
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-5-carboximidamide
CID 107920837
[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
CID 163765370
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
CID 107920767
N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
CID 107920769
N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
CID 107920810
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
CID 107920822
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide
CID 154537160
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-6-carboximidamide
CID 107917634
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-hydroxyindole-5-carboximidamide?
The IUPAC name of 1-benzyl-N'-hydroxyindole-5-carboximidamide (CID 107920718) is 1-benzyl-N'-hydroxyindole-5-carboximidamide.
What is the SMILES notation for 1-benzyl-N'-hydroxyindole-5-carboximidamide?
The canonical SMILES for 1-benzyl-N'-hydroxyindole-5-carboximidamide is N/C(=N/O)c1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N'-hydroxyindole-5-carboximidamide?
The InChIKey is ZXBAWGUSRPCLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16(18-20)14-6-7-15-13(10-14)8-9-19(15)11-12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,18).
What are the key properties of 1-benzyl-N'-hydroxyindole-5-carboximidamide?
1-benzyl-N'-hydroxyindole-5-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-hydroxyindole-5-carboximidamide is sourced from PubChem (CID 107920718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).