4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one

C16H16N2OS — CID 156902171

IUPAC4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3ccc(C4CC4)s3)cc2)N1
InChIInChI=1S/C16H16N2OS/c19-16-17-9-13(18-16)10-1-3-11(4-2-10)14-7-8-15(20-14)12-5-6-12/h1-4,7-8,12-13H,5-6,9H2,(H2,17,18,19)
InChIKeyDDXGIDUXHLAZLI-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.65
Rot. Bonds3

About 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one

4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one (PubChem CID 156902171) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one
PubChem CID156902171
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3ccc(C4CC4)s3)cc2)N1
InChIInChI=1S/C16H16N2OS/c19-16-17-9-13(18-16)10-1-3-11(4-2-10)14-7-8-15(20-14)12-5-6-12/h1-4,7-8,12-13H,5-6,9H2,(H2,17,18,19)
InChIKeyDDXGIDUXHLAZLI-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
CID 131480890
(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 171252661
(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one
CID 130731723
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
CID 171252821
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one
CID 130976022
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
(4R)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidin-2-one
CID 171252567
(4R)-4-(3-bromo-4-fluorophenyl)imidazolidin-2-one
CID 130723631
(4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252694

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one (CID 156902171) is 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one is O=C1NCC(c2ccc(-c3ccc(C4CC4)s3)cc2)N1.
What is the InChIKey of 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one?
The InChIKey is DDXGIDUXHLAZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-16-17-9-13(18-16)10-1-3-11(4-2-10)14-7-8-15(20-14)12-5-6-12/h1-4,7-8,12-13H,5-6,9H2,(H2,17,18,19).
What are the key properties of 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one?
4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one has a molecular weight of 284.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 156902171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).