2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid

C24H15N3O2 — CID 58882241

IUPAC2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C24H15N3O2/c28-24(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20/h1-12,25H,(H,26,27)(H,28,29)
InChIKeyICGDKXALNQMYKW-UHFFFAOYSA-N
MW377.40 g/mol
LogP5.72
Rot. Bonds2

About 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid

2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid (PubChem CID 58882241) has the molecular formula C24H15N3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
PubChem CID58882241
Molecular FormulaC24H15N3O2
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C24H15N3O2/c28-24(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20/h1-12,25H,(H,26,27)(H,28,29)
InChIKeyICGDKXALNQMYKW-UHFFFAOYSA-N
XLogP5.72
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
The IUPAC name of 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid (CID 58882241) is 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid is O=C(O)c1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
The InChIKey is ICGDKXALNQMYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2/c28-24(29)13-9-10-15-14-5-1-2-7-17(14)21-22(18(15)11-13)27-23(26-21)19-12-25-20-8-4-3-6-16(19)20/h1-12,25H,(H,26,27)(H,28,29).
What are the key properties of 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid?
2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 5.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 58882241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).