2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine

C12H13N3 — CID 22186066

IUPAC2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CC(c1cnc[nH]1)C2
InChIInChI=1S/C12H13N3/c13-11-2-1-8-3-10(4-9(8)5-11)12-6-14-7-15-12/h1-2,5-7,10H,3-4,13H2,(H,14,15)
InChIKeyXXSQJWQCFIRWNW-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.87
Rot. Bonds1

About 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine

2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 22186066) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID22186066
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CC(c1cnc[nH]1)C2
InChIInChI=1S/C12H13N3/c13-11-2-1-8-3-10(4-9(8)5-11)12-6-14-7-15-12/h1-2,5-7,10H,3-4,13H2,(H,14,15)
InChIKeyXXSQJWQCFIRWNW-UHFFFAOYSA-N
XLogP1.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine (CID 22186066) is 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)CC(c1cnc[nH]1)C2.
What is the InChIKey of 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is XXSQJWQCFIRWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-11-2-1-8-3-10(4-9(8)5-11)12-6-14-7-15-12/h1-2,5-7,10H,3-4,13H2,(H,14,15).
What are the key properties of 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine?
2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 199.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 22186066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).