2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide

C25H19N5O — CID 58882265

IUPAC2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
SMILESNCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C25H19N5O/c26-12-22(31)28-14-9-10-16-15-5-1-2-7-18(15)23-24(19(16)11-14)30-25(29-23)20-13-27-21-8-4-3-6-17(20)21/h1-11,13,27H,12,26H2,(H,28,31)(H,29,30)
InChIKeyNYWWAMKQXOEUCB-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.91
Rot. Bonds3

About 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide

2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide (PubChem CID 58882265) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
PubChem CID58882265
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
SMILESNCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C25H19N5O/c26-12-22(31)28-14-9-10-16-15-5-1-2-7-18(15)23-24(19(16)11-14)30-25(29-23)20-13-27-21-8-4-3-6-17(20)21/h1-11,13,27H,12,26H2,(H,28,31)(H,29,30)
InChIKeyNYWWAMKQXOEUCB-UHFFFAOYSA-N
XLogP4.91
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide?
The IUPAC name of 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide (CID 58882265) is 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide is NCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccccc45)nc3c2c1.
What is the InChIKey of 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide?
The InChIKey is NYWWAMKQXOEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c26-12-22(31)28-14-9-10-16-15-5-1-2-7-18(15)23-24(19(16)11-14)30-25(29-23)20-13-27-21-8-4-3-6-17(20)21/h1-11,13,27H,12,26H2,(H,28,31)(H,29,30).
What are the key properties of 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide?
2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide is sourced from PubChem (CID 58882265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).