N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide

C17H19N3O — CID 76938743

IUPACN'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H19N3O/c1-11-7-8-14(17(18)19-21)16(9-11)20-12(2)10-13-5-3-4-6-15(13)20/h3-9,12,21H,10H2,1-2H3,(H2,18,19)
InChIKeyBUQMCAHSBGYTNM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds2

About N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide

N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide (PubChem CID 76938743) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
PubChem CID76938743
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H19N3O/c1-11-7-8-14(17(18)19-21)16(9-11)20-12(2)10-13-5-3-4-6-15(13)20/h3-9,12,21H,10H2,1-2H3,(H2,18,19)
InChIKeyBUQMCAHSBGYTNM-UHFFFAOYSA-N
XLogP3.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
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-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
CID 76984980
4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194408
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylbenzenecarboximidamide
CID 76938795
2-(4-tert-butylpiperidin-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939083
1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 43510148
2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930021
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938749
4-methoxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 81302118
2-bromo-3-fluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 107534548
4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide
CID 63356081
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide (CID 76938743) is N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide is Cc1ccc(C(N)=NO)c(N2c3ccccc3CC2C)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
The InChIKey is BUQMCAHSBGYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-7-8-14(17(18)19-21)16(9-11)20-12(2)10-13-5-3-4-6-15(13)20/h3-9,12,21H,10H2,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide has a molecular weight of 281.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 76938743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).