4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one

C15H16N2OS2 — CID 5303533

IUPAC4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one
SMILESCc1cc(-c2[nH]c(=O)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C15H16N2OS2/c1-7-5-11(9(3)19-7)13-14(17-15(18)16-13)12-6-8(2)20-10(12)4/h5-6H,1-4H3,(H2,16,17,18)
InChIKeyYNBXURMOBPOMFD-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.39
Rot. Bonds2

About 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one

4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one (PubChem CID 5303533) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one
PubChem CID5303533
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one
SMILESCc1cc(-c2[nH]c(=O)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C15H16N2OS2/c1-7-5-11(9(3)19-7)13-14(17-15(18)16-13)12-6-8(2)20-10(12)4/h5-6H,1-4H3,(H2,16,17,18)
InChIKeyYNBXURMOBPOMFD-UHFFFAOYSA-N
XLogP4.39
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one (CID 5303533) is 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one is Cc1cc(-c2[nH]c(=O)[nH]c2-c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one?
The InChIKey is YNBXURMOBPOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-7-5-11(9(3)19-7)13-14(17-15(18)16-13)12-6-8(2)20-10(12)4/h5-6H,1-4H3,(H2,16,17,18).
What are the key properties of 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one?
4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one has a molecular weight of 304.44 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 5303533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).