4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide

C17H19N3O — CID 114482447

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CN1CCc2ccccc21
InChIInChI=1S/C17H19N3O/c1-12-10-14(17(18)19-21)6-7-15(12)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10,21H,8-9,11H2,1H3,(H2,18,19)
InChIKeyZLXDNPJAEPCDIM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide

4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114482447) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114482447
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CN1CCc2ccccc21
InChIInChI=1S/C17H19N3O/c1-12-10-14(17(18)19-21)6-7-15(12)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10,21H,8-9,11H2,1H3,(H2,18,19)
InChIKeyZLXDNPJAEPCDIM-UHFFFAOYSA-N
XLogP2.65
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.65
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

4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483353
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483358
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzonitrile
CID 114480954
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482998
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
N'-hydroxy-3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
CID 114482975
N'-hydroxy-3-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 114537185
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483161
N'-hydroxy-3-methyl-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 114482438
3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 117219224
3-(2,3-dihydroindol-1-ylmethyl)-4-fluorobenzoic acid
CID 63074922

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114482447) is 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CN1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is ZLXDNPJAEPCDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-10-14(17(18)19-21)6-7-15(12)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10,21H,8-9,11H2,1H3,(H2,18,19).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 281.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).