2-(4H-imidazo[1,5-a]indol-4-yl)aniline

C16H13N3 — CID 121265540

IUPAC2-(4H-imidazo[1,5-a]indol-4-yl)aniline
SMILESNc1ccccc1C1c2ccccc2-n2cncc21
InChIInChI=1S/C16H13N3/c17-13-7-3-1-5-11(13)16-12-6-2-4-8-14(12)19-10-18-9-15(16)19/h1-10,16H,17H2
InChIKeyURFSEEZMZUXQQB-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.95
Rot. Bonds1

About 2-(4H-imidazo[1,5-a]indol-4-yl)aniline

2-(4H-imidazo[1,5-a]indol-4-yl)aniline (PubChem CID 121265540) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4H-imidazo[1,5-a]indol-4-yl)aniline.

Molecular Properties

Compound Name2-(4H-imidazo[1,5-a]indol-4-yl)aniline
PubChem CID121265540
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-(4H-imidazo[1,5-a]indol-4-yl)aniline
SMILESNc1ccccc1C1c2ccccc2-n2cncc21
InChIInChI=1S/C16H13N3/c17-13-7-3-1-5-11(13)16-12-6-2-4-8-14(12)19-10-18-9-15(16)19/h1-10,16H,17H2
InChIKeyURFSEEZMZUXQQB-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-imidazo[1,5-a]indol-4-yl)aniline?
The IUPAC name of 2-(4H-imidazo[1,5-a]indol-4-yl)aniline (CID 121265540) is 2-(4H-imidazo[1,5-a]indol-4-yl)aniline.
What is the SMILES notation for 2-(4H-imidazo[1,5-a]indol-4-yl)aniline?
The canonical SMILES for 2-(4H-imidazo[1,5-a]indol-4-yl)aniline is Nc1ccccc1C1c2ccccc2-n2cncc21.
What is the InChIKey of 2-(4H-imidazo[1,5-a]indol-4-yl)aniline?
The InChIKey is URFSEEZMZUXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c17-13-7-3-1-5-11(13)16-12-6-2-4-8-14(12)19-10-18-9-15(16)19/h1-10,16H,17H2.
What are the key properties of 2-(4H-imidazo[1,5-a]indol-4-yl)aniline?
2-(4H-imidazo[1,5-a]indol-4-yl)aniline has a molecular weight of 247.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-imidazo[1,5-a]indol-4-yl)aniline is sourced from PubChem (CID 121265540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).