1-methyl-2,4-di(thiophen-3-yl)imidazole

C12H10N2S2 — CID 45141687

IUPAC1-methyl-2,4-di(thiophen-3-yl)imidazole
SMILESCn1cc(-c2ccsc2)nc1-c1ccsc1
InChIInChI=1S/C12H10N2S2/c1-14-6-11(9-2-4-15-7-9)13-12(14)10-3-5-16-8-10/h2-8H,1H3
InChIKeyIZAFLZIKXIWFFO-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.88
Rot. Bonds2

About 1-methyl-2,4-di(thiophen-3-yl)imidazole

1-methyl-2,4-di(thiophen-3-yl)imidazole (PubChem CID 45141687) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-methyl-2,4-di(thiophen-3-yl)imidazole.

Molecular Properties

Compound Name1-methyl-2,4-di(thiophen-3-yl)imidazole
PubChem CID45141687
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name1-methyl-2,4-di(thiophen-3-yl)imidazole
SMILESCn1cc(-c2ccsc2)nc1-c1ccsc1
InChIInChI=1S/C12H10N2S2/c1-14-6-11(9-2-4-15-7-9)13-12(14)10-3-5-16-8-10/h2-8H,1H3
InChIKeyIZAFLZIKXIWFFO-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-di(thiophen-3-yl)imidazole?
The IUPAC name of 1-methyl-2,4-di(thiophen-3-yl)imidazole (CID 45141687) is 1-methyl-2,4-di(thiophen-3-yl)imidazole.
What is the SMILES notation for 1-methyl-2,4-di(thiophen-3-yl)imidazole?
The canonical SMILES for 1-methyl-2,4-di(thiophen-3-yl)imidazole is Cn1cc(-c2ccsc2)nc1-c1ccsc1.
What is the InChIKey of 1-methyl-2,4-di(thiophen-3-yl)imidazole?
The InChIKey is IZAFLZIKXIWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-14-6-11(9-2-4-15-7-9)13-12(14)10-3-5-16-8-10/h2-8H,1H3.
What are the key properties of 1-methyl-2,4-di(thiophen-3-yl)imidazole?
1-methyl-2,4-di(thiophen-3-yl)imidazole has a molecular weight of 246.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-di(thiophen-3-yl)imidazole is sourced from PubChem (CID 45141687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).