5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine

C11H15N3 — CID 79510463

IUPAC5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(CCc2ccccc2)N1
InChIInChI=1S/C11H15N3/c12-11-13-8-10(14-11)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,12,13,14)
InChIKeyLYQPEJYLOVAGGY-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.91
Rot. Bonds3

About 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine

5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 79510463) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID79510463
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(CCc2ccccc2)N1
InChIInChI=1S/C11H15N3/c12-11-13-8-10(14-11)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,12,13,14)
InChIKeyLYQPEJYLOVAGGY-UHFFFAOYSA-N
XLogP0.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 79510463) is 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(CCc2ccccc2)N1.
What is the InChIKey of 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LYQPEJYLOVAGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-11-13-8-10(14-11)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,12,13,14).
What are the key properties of 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 189.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 79510463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).