[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

C17H23N3OS — CID 124972758

IUPAC[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCc1cn(C)c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1
InChIInChI=1S/C17H23N3OS/c1-11(2)15-8-13(10-22-15)17(21)20-7-5-6-14(20)16-18-12(3)9-19(16)4/h8-11,14H,5-7H2,1-4H3/t14-/m1/s1
InChIKeyKFMYYLMQUBTONJ-CQSZACIVSA-N
MW317.46 g/mol
LogP3.89
Rot. Bonds3

About [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 124972758) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID124972758
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCc1cn(C)c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1
InChIInChI=1S/C17H23N3OS/c1-11(2)15-8-13(10-22-15)17(21)20-7-5-6-14(20)16-18-12(3)9-19(16)4/h8-11,14H,5-7H2,1-4H3/t14-/m1/s1
InChIKeyKFMYYLMQUBTONJ-CQSZACIVSA-N
XLogP3.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125005800
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 110104544
5-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 124974307
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 110104485
1-[2-[(2R)-1-(5-propan-2-ylthiophene-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92580905
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124941800
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124982655
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 124970536
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124962035
(2-methyl-1,3-thiazol-4-yl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95136623
3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 124965532
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (CID 124972758) is [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone is Cc1cn(C)c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1.
What is the InChIKey of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is KFMYYLMQUBTONJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11(2)15-8-13(10-22-15)17(21)20-7-5-6-14(20)16-18-12(3)9-19(16)4/h8-11,14H,5-7H2,1-4H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 317.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 124972758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).