N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide

C21H17N3O2 — CID 87225241

IUPACN'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide
SMILESN/C(=N\O)n1c(-c2cccc(-c3ccccc3)c2O)cc2ccccc21
InChIInChI=1S/C21H17N3O2/c22-21(23-26)24-18-12-5-4-9-15(18)13-19(24)17-11-6-10-16(20(17)25)14-7-2-1-3-8-14/h1-13,25-26H,(H2,22,23)
InChIKeyFTRAXKBNLPGNNU-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.23
Rot. Bonds2

About N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide

N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide (PubChem CID 87225241) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide
PubChem CID87225241
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide
SMILESN/C(=N\O)n1c(-c2cccc(-c3ccccc3)c2O)cc2ccccc21
InChIInChI=1S/C21H17N3O2/c22-21(23-26)24-18-12-5-4-9-15(18)13-19(24)17-11-6-10-16(20(17)25)14-7-2-1-3-8-14/h1-13,25-26H,(H2,22,23)
InChIKeyFTRAXKBNLPGNNU-UHFFFAOYSA-N
XLogP4.23
TPSA83.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide
CID 135450810
N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
CID 136928051
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
2-methyl-6-phenylphenol
CID 12592481
(2-chlorophenyl)-(2-phenylindol-1-yl)methanone
CID 146166145
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
2-(2,6-dimethylphenyl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide
CID 51347938
bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
CID 134902847
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
benzene;1-methyl-2-phenylindole
CID 158316839

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide (CID 87225241) is N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide is N/C(=N\O)n1c(-c2cccc(-c3ccccc3)c2O)cc2ccccc21.
What is the InChIKey of N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide?
The InChIKey is FTRAXKBNLPGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-21(23-26)24-18-12-5-4-9-15(18)13-19(24)17-11-6-10-16(20(17)25)14-7-2-1-3-8-14/h1-13,25-26H,(H2,22,23).
What are the key properties of N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide?
N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide has a molecular weight of 343.39 g/mol, XLogP of 4.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)indole-1-carboximidamide is sourced from PubChem (CID 87225241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).