N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide

C15H13N3O — CID 137055346

IUPACN'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide
SMILESN/C(=N\c1ccc(O)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O/c16-15(18-10-5-7-11(19)8-6-10)13-9-17-14-4-2-1-3-12(13)14/h1-9,17,19H,(H2,16,18)
InChIKeyFHDRJAMYVHGYFK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds2

About N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide

N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide (PubChem CID 137055346) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide
PubChem CID137055346
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide
SMILESN/C(=N\c1ccc(O)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O/c16-15(18-10-5-7-11(19)8-6-10)13-9-17-14-4-2-1-3-12(13)14/h1-9,17,19H,(H2,16,18)
InChIKeyFHDRJAMYVHGYFK-UHFFFAOYSA-N
XLogP2.91
TPSA74.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 11357505
(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
sodium 1H-indole-3-carboxylate
CID 23698293
N-oxo-1H-indole-3-carboxamide
CID 88522766
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide?
The IUPAC name of N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide (CID 137055346) is N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide.
What is the SMILES notation for N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide?
The canonical SMILES for N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide is N/C(=N\c1ccc(O)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide?
The InChIKey is FHDRJAMYVHGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-15(18-10-5-7-11(19)8-6-10)13-9-17-14-4-2-1-3-12(13)14/h1-9,17,19H,(H2,16,18).
What are the key properties of N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide?
N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)-1H-indole-3-carboximidamide is sourced from PubChem (CID 137055346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).