ethane;2-phenyl-1H-imidazole

C13H20N2 — CID 142210082

IUPACethane;2-phenyl-1H-imidazole
SMILESCC.CC.c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H8N2.2C2H6/c1-2-4-8(5-3-1)9-10-6-7-11-9;2*1-2/h1-7H,(H,10,11);2*1-2H3
InChIKeyFJFMTFDGPRAXTL-UHFFFAOYSA-N
MW204.32 g/mol
LogP4.13
Rot. Bonds1

About ethane;2-phenyl-1H-imidazole

ethane;2-phenyl-1H-imidazole (PubChem CID 142210082) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;2-phenyl-1H-imidazole.

Molecular Properties

Compound Nameethane;2-phenyl-1H-imidazole
PubChem CID142210082
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;2-phenyl-1H-imidazole
SMILESCC.CC.c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H8N2.2C2H6/c1-2-4-8(5-3-1)9-10-6-7-11-9;2*1-2/h1-7H,(H,10,11);2*1-2H3
InChIKeyFJFMTFDGPRAXTL-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-1H-imidazole?
The IUPAC name of ethane;2-phenyl-1H-imidazole (CID 142210082) is ethane;2-phenyl-1H-imidazole.
What is the SMILES notation for ethane;2-phenyl-1H-imidazole?
The canonical SMILES for ethane;2-phenyl-1H-imidazole is CC.CC.c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of ethane;2-phenyl-1H-imidazole?
The InChIKey is FJFMTFDGPRAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.2C2H6/c1-2-4-8(5-3-1)9-10-6-7-11-9;2*1-2/h1-7H,(H,10,11);2*1-2H3.
What are the key properties of ethane;2-phenyl-1H-imidazole?
ethane;2-phenyl-1H-imidazole has a molecular weight of 204.32 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-1H-imidazole is sourced from PubChem (CID 142210082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).