ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole

C13H20N2 — CID 145111115

IUPACethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
SMILESCC.c1ccc(CCC2=NCCN2)cc1
InChIInChI=1S/C11H14N2.C2H6/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;1-2/h1-5H,6-9H2,(H,12,13);1-2H3
InChIKeyVUTANLKWULIULC-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.65
Rot. Bonds3

About ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole

ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 145111115) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
PubChem CID145111115
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
SMILESCC.c1ccc(CCC2=NCCN2)cc1
InChIInChI=1S/C11H14N2.C2H6/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;1-2/h1-5H,6-9H2,(H,12,13);1-2H3
InChIKeyVUTANLKWULIULC-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole (CID 145111115) is ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole is CC.c1ccc(CCC2=NCCN2)cc1.
What is the InChIKey of ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is VUTANLKWULIULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;1-2/h1-5H,6-9H2,(H,12,13);1-2H3.
What are the key properties of ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole?
ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 204.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 145111115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).