2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide

C21H16N4O3 — CID 11057779

IUPAC2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1
InChIInChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
InChIKeyVGQFBYXDHFTAHX-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.40
Rot. Bonds4

About 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide

2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide (PubChem CID 11057779) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide
PubChem CID11057779
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1
InChIInChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
InChIKeyVGQFBYXDHFTAHX-UHFFFAOYSA-N
XLogP4.40
TPSA129.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.40
H-Bond Donors ≤ 54
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide (CID 11057779) is 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1.
What is the InChIKey of 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide?
The InChIKey is VGQFBYXDHFTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23).
What are the key properties of 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide?
2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide has a molecular weight of 372.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-nitro-3-phenylphenyl)-1H-indole-5-carboximidamide is sourced from PubChem (CID 11057779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).