1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole

C15H20N2OS — CID 130361018

IUPAC1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole
SMILESCCc1ccsc1C(C1CCCOC1)n1ccnc1
InChIInChI=1S/C15H20N2OS/c1-2-12-5-9-19-15(12)14(17-7-6-16-11-17)13-4-3-8-18-10-13/h5-7,9,11,13-14H,2-4,8,10H2,1H3
InChIKeyXLDBBHWBPJVCCZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.52
Rot. Bonds4

About 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole

1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole (PubChem CID 130361018) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole
PubChem CID130361018
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole
SMILESCCc1ccsc1C(C1CCCOC1)n1ccnc1
InChIInChI=1S/C15H20N2OS/c1-2-12-5-9-19-15(12)14(17-7-6-16-11-17)13-4-3-8-18-10-13/h5-7,9,11,13-14H,2-4,8,10H2,1H3
InChIKeyXLDBBHWBPJVCCZ-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole?
The IUPAC name of 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole (CID 130361018) is 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole.
What is the SMILES notation for 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole?
The canonical SMILES for 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole is CCc1ccsc1C(C1CCCOC1)n1ccnc1.
What is the InChIKey of 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole?
The InChIKey is XLDBBHWBPJVCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-12-5-9-19-15(12)14(17-7-6-16-11-17)13-4-3-8-18-10-13/h5-7,9,11,13-14H,2-4,8,10H2,1H3.
What are the key properties of 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole?
1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole has a molecular weight of 276.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylthiophen-2-yl)-(oxan-3-yl)methyl]imidazole is sourced from PubChem (CID 130361018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).