(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone

C11H12N2OS — CID 130509688

IUPAC(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCCc1ccsc1C(=O)c1cn(C)cn1
InChIInChI=1S/C11H12N2OS/c1-3-8-4-5-15-11(8)10(14)9-6-13(2)7-12-9/h4-7H,3H2,1-2H3
InChIKeyLYZOPETYAOLGBV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.28
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone

(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 130509688) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID130509688
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCCc1ccsc1C(=O)c1cn(C)cn1
InChIInChI=1S/C11H12N2OS/c1-3-8-4-5-15-11(8)10(14)9-6-13(2)7-12-9/h4-7H,3H2,1-2H3
InChIKeyLYZOPETYAOLGBV-UHFFFAOYSA-N
XLogP2.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone (CID 130509688) is (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone is CCc1ccsc1C(=O)c1cn(C)cn1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is LYZOPETYAOLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-8-4-5-15-11(8)10(14)9-6-13(2)7-12-9/h4-7H,3H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 220.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 130509688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).