(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one

C14H17N3OS — CID 31125812

IUPAC(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)N1C[C@H](c2ncc(-c3ccsc3)[nH]2)CC1=O
InChIInChI=1S/C14H17N3OS/c1-9(2)17-7-11(5-13(17)18)14-15-6-12(16-14)10-3-4-19-8-10/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyYIVPHEPELJQNNT-LLVKDONJSA-N
MW275.38 g/mol
LogP2.86
Rot. Bonds3

About (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one

(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one (PubChem CID 31125812) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
PubChem CID31125812
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)N1C[C@H](c2ncc(-c3ccsc3)[nH]2)CC1=O
InChIInChI=1S/C14H17N3OS/c1-9(2)17-7-11(5-13(17)18)14-15-6-12(16-14)10-3-4-19-8-10/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyYIVPHEPELJQNNT-LLVKDONJSA-N
XLogP2.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31073934
(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31043406
(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31045164
1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45242567
4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 45218761
3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione
CID 122239201
(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 29085956
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45202527
4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45204048
4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 45176766
2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975504
4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 154892075

Frequently Asked Questions

What is the IUPAC name of (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one (CID 31125812) is (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one is CC(C)N1C[C@H](c2ncc(-c3ccsc3)[nH]2)CC1=O.
What is the InChIKey of (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The InChIKey is YIVPHEPELJQNNT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)17-7-11(5-13(17)18)14-15-6-12(16-14)10-3-4-19-8-10/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one has a molecular weight of 275.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 31125812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).