ethane;2-naphthalen-2-yl-1H-imidazole

C15H16N2 — CID 145111016

IUPACethane;2-naphthalen-2-yl-1H-imidazole
SMILESCC.c1ccc2cc(-c3ncc[nH]3)ccc2c1
InChIInChI=1S/C13H10N2.C2H6/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13;1-2/h1-9H,(H,14,15);1-2H3
InChIKeyCPTICGCOJHHWRM-UHFFFAOYSA-N
MW224.31 g/mol
LogP4.26
Rot. Bonds1

About ethane;2-naphthalen-2-yl-1H-imidazole

ethane;2-naphthalen-2-yl-1H-imidazole (PubChem CID 145111016) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is ethane;2-naphthalen-2-yl-1H-imidazole.

Molecular Properties

Compound Nameethane;2-naphthalen-2-yl-1H-imidazole
PubChem CID145111016
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Nameethane;2-naphthalen-2-yl-1H-imidazole
SMILESCC.c1ccc2cc(-c3ncc[nH]3)ccc2c1
InChIInChI=1S/C13H10N2.C2H6/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13;1-2/h1-9H,(H,14,15);1-2H3
InChIKeyCPTICGCOJHHWRM-UHFFFAOYSA-N
XLogP4.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-naphthalen-2-yl-1H-imidazole?
The IUPAC name of ethane;2-naphthalen-2-yl-1H-imidazole (CID 145111016) is ethane;2-naphthalen-2-yl-1H-imidazole.
What is the SMILES notation for ethane;2-naphthalen-2-yl-1H-imidazole?
The canonical SMILES for ethane;2-naphthalen-2-yl-1H-imidazole is CC.c1ccc2cc(-c3ncc[nH]3)ccc2c1.
What is the InChIKey of ethane;2-naphthalen-2-yl-1H-imidazole?
The InChIKey is CPTICGCOJHHWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C2H6/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13;1-2/h1-9H,(H,14,15);1-2H3.
What are the key properties of ethane;2-naphthalen-2-yl-1H-imidazole?
ethane;2-naphthalen-2-yl-1H-imidazole has a molecular weight of 224.31 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-naphthalen-2-yl-1H-imidazole is sourced from PubChem (CID 145111016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).