2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine

C21H17N5 — CID 162720673

IUPAC2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
SMILESNc1ccc(-c2nc3c4cc(N)ccc4c4ccc(N)cc4c3[nH]2)cc1
InChIInChI=1S/C21H17N5/c22-12-3-1-11(2-4-12)21-25-19-17-9-13(23)5-7-15(17)16-8-6-14(24)10-18(16)20(19)26-21/h1-10H,22-24H2,(H,25,26)
InChIKeyNIIXEVMXQFOOLP-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.28
Rot. Bonds1

About 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine

2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine (PubChem CID 162720673) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine.

Molecular Properties

Compound Name2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
PubChem CID162720673
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
SMILESNc1ccc(-c2nc3c4cc(N)ccc4c4ccc(N)cc4c3[nH]2)cc1
InChIInChI=1S/C21H17N5/c22-12-3-1-11(2-4-12)21-25-19-17-9-13(23)5-7-15(17)16-8-6-14(24)10-18(16)20(19)26-21/h1-10H,22-24H2,(H,25,26)
InChIKeyNIIXEVMXQFOOLP-UHFFFAOYSA-N
XLogP4.28
TPSA106.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?
The IUPAC name of 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine (CID 162720673) is 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine.
What is the SMILES notation for 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?
The canonical SMILES for 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine is Nc1ccc(-c2nc3c4cc(N)ccc4c4ccc(N)cc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?
The InChIKey is NIIXEVMXQFOOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c22-12-3-1-11(2-4-12)21-25-19-17-9-13(23)5-7-15(17)16-8-6-14(24)10-18(16)20(19)26-21/h1-10H,22-24H2,(H,25,26).
What are the key properties of 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine?
2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine has a molecular weight of 339.40 g/mol, XLogP of 4.28, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine is sourced from PubChem (CID 162720673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).