ethane;5-(1-phenylethyl)-1H-imidazole

C13H18N2 — CID 123176556

IUPACethane;5-(1-phenylethyl)-1H-imidazole
SMILESCC.CC(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H12N2.C2H6/c1-9(11-7-12-8-13-11)10-5-3-2-4-6-10;1-2/h2-9H,1H3,(H,12,13);1-2H3
InChIKeyFAEAUEPPOYYRTH-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.59
Rot. Bonds2

About ethane;5-(1-phenylethyl)-1H-imidazole

ethane;5-(1-phenylethyl)-1H-imidazole (PubChem CID 123176556) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;5-(1-phenylethyl)-1H-imidazole.

Molecular Properties

Compound Nameethane;5-(1-phenylethyl)-1H-imidazole
PubChem CID123176556
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Nameethane;5-(1-phenylethyl)-1H-imidazole
SMILESCC.CC(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H12N2.C2H6/c1-9(11-7-12-8-13-11)10-5-3-2-4-6-10;1-2/h2-9H,1H3,(H,12,13);1-2H3
InChIKeyFAEAUEPPOYYRTH-UHFFFAOYSA-N
XLogP3.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-phenylethyl)-1H-imidazole?
The IUPAC name of ethane;5-(1-phenylethyl)-1H-imidazole (CID 123176556) is ethane;5-(1-phenylethyl)-1H-imidazole.
What is the SMILES notation for ethane;5-(1-phenylethyl)-1H-imidazole?
The canonical SMILES for ethane;5-(1-phenylethyl)-1H-imidazole is CC.CC(c1ccccc1)c1cnc[nH]1.
What is the InChIKey of ethane;5-(1-phenylethyl)-1H-imidazole?
The InChIKey is FAEAUEPPOYYRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C2H6/c1-9(11-7-12-8-13-11)10-5-3-2-4-6-10;1-2/h2-9H,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;5-(1-phenylethyl)-1H-imidazole?
ethane;5-(1-phenylethyl)-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-phenylethyl)-1H-imidazole is sourced from PubChem (CID 123176556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).