1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine

C11H14N4 — CID 19881180

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
SMILESNN1Cc2ccccc2C1C1=NCCN1
InChIInChI=1S/C11H14N4/c12-15-7-8-3-1-2-4-9(8)10(15)11-13-5-6-14-11/h1-4,10H,5-7,12H2,(H,13,14)
InChIKeyIROXUQCEVYNEGU-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.42
Rot. Bonds1

About 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine

1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine (PubChem CID 19881180) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
PubChem CID19881180
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
SMILESNN1Cc2ccccc2C1C1=NCCN1
InChIInChI=1S/C11H14N4/c12-15-7-8-3-1-2-4-9(8)10(15)11-13-5-6-14-11/h1-4,10H,5-7,12H2,(H,13,14)
InChIKeyIROXUQCEVYNEGU-UHFFFAOYSA-N
XLogP0.42
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine (CID 19881180) is 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine is NN1Cc2ccccc2C1C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine?
The InChIKey is IROXUQCEVYNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-15-7-8-3-1-2-4-9(8)10(15)11-13-5-6-14-11/h1-4,10H,5-7,12H2,(H,13,14).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine?
1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine has a molecular weight of 202.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine is sourced from PubChem (CID 19881180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).