ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole

C16H24N2OS — CID 145351999

IUPACethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole
SMILESCC.Cc1ccsc1C(C1CCOCC1)n1ccnc1
InChIInChI=1S/C14H18N2OS.C2H6/c1-11-4-9-18-14(11)13(16-6-5-15-10-16)12-2-7-17-8-3-12;1-2/h4-6,9-10,12-13H,2-3,7-8H2,1H3;1-2H3
InChIKeyONBNRGGTEICBHY-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.30
Rot. Bonds3

About ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole

ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole (PubChem CID 145351999) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole.

Molecular Properties

Compound Nameethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole
PubChem CID145351999
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Nameethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole
SMILESCC.Cc1ccsc1C(C1CCOCC1)n1ccnc1
InChIInChI=1S/C14H18N2OS.C2H6/c1-11-4-9-18-14(11)13(16-6-5-15-10-16)12-2-7-17-8-3-12;1-2/h4-6,9-10,12-13H,2-3,7-8H2,1H3;1-2H3
InChIKeyONBNRGGTEICBHY-UHFFFAOYSA-N
XLogP4.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole?
The IUPAC name of ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole (CID 145351999) is ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole.
What is the SMILES notation for ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole?
The canonical SMILES for ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole is CC.Cc1ccsc1C(C1CCOCC1)n1ccnc1.
What is the InChIKey of ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole?
The InChIKey is ONBNRGGTEICBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.C2H6/c1-11-4-9-18-14(11)13(16-6-5-15-10-16)12-2-7-17-8-3-12;1-2/h4-6,9-10,12-13H,2-3,7-8H2,1H3;1-2H3.
What are the key properties of ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole?
ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole has a molecular weight of 292.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3-methylthiophen-2-yl)-(oxan-4-yl)methyl]imidazole is sourced from PubChem (CID 145351999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).