2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide

C18H19N3O — CID 122194707

IUPAC2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cccc(C(C)C)c3O)cc2c1
InChIInChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
InChIKeyVEGYNLNZHWVEIZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide

2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide (PubChem CID 122194707) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide
PubChem CID122194707
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cccc(C(C)C)c3O)cc2c1
InChIInChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
InChIKeyVEGYNLNZHWVEIZ-UHFFFAOYSA-N
XLogP3.95
TPSA85.89 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.95
H-Bond Donors ≤ 54
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

Harmalol
CID 3565
4-Hydroxycarbazole
CID 104251
2-(2-hydroxyphenyl)-1H-indole-5-carboximidamide
CID 1508
2-Hydroxycarbazole
CID 93551
Phenol, 4,4'-indole-2,3-diyldi-
CID 201385
3-Methyl-1-(3-methyl-2-buten-1-yl)-9H-carbazol-2-ol
CID 5209
3-methyl-9H-carbazol-2-ol
CID 3459141
6-chloro-2-(2-hydroxybiphenyl-3-yl)-1H-indole-5-carboxamidine
CID 445844
2-(2-hydroxybiphenyl-3-yl)-1H-indole-5-carboxamidine
CID 447476
3-(5-(Amino(iminio)methyl)-1H-indol-2-YL)-5-methoxy-1,1'-biphenyl-2-olate
CID 447492
2-(3-bromo-2-hydroxy-5-methylphenyl)-1H-indole-5-carboxamidine
CID 447508
Carazostatin
CID 130857

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide (CID 122194707) is 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3cccc(C(C)C)c3O)cc2c1.
What is the InChIKey of 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide?
The InChIKey is VEGYNLNZHWVEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20).
What are the key properties of 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide?
2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide has a molecular weight of 293.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide is sourced from PubChem (CID 122194707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).