(2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone

C11H12N2OS — CID 130519219

IUPAC(2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1cnc(C)n1C
InChIInChI=1S/C11H12N2OS/c1-7-4-5-15-11(7)10(14)9-6-12-8(2)13(9)3/h4-6H,1-3H3
InChIKeyPLNFRYSGGKZVPG-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.33
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone

(2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 130519219) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID130519219
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1cnc(C)n1C
InChIInChI=1S/C11H12N2OS/c1-7-4-5-15-11(7)10(14)9-6-12-8(2)13(9)3/h4-6H,1-3H3
InChIKeyPLNFRYSGGKZVPG-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone
CID 79992482
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641
(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone
CID 43463073
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
(3-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 114963054
(5-amino-1H-pyrazol-4-yl)-(3-methylthiophen-2-yl)methanone
CID 79992375
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 115795942
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone (CID 130519219) is (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1cnc(C)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is PLNFRYSGGKZVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-4-5-15-11(7)10(14)9-6-12-8(2)13(9)3/h4-6H,1-3H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone?
(2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 220.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 130519219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).