[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone

C14H17N3OS — CID 124946755

IUPAC[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1cnc([C@H]2CCCN2C(=O)c2sccc2C)[nH]1
InChIInChI=1S/C14H17N3OS/c1-9-5-7-19-12(9)14(18)17-6-3-4-11(17)13-15-8-10(2)16-13/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyCAMVXTANZNSNPI-LLVKDONJSA-N
MW275.38 g/mol
LogP3.07
Rot. Bonds2

About [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone

[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 124946755) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID124946755
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1cnc([C@H]2CCCN2C(=O)c2sccc2C)[nH]1
InChIInChI=1S/C14H17N3OS/c1-9-5-7-19-12(9)14(18)17-6-3-4-11(17)13-15-8-10(2)16-13/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyCAMVXTANZNSNPI-LLVKDONJSA-N
XLogP3.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124949823
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124976475
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 124952372
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125018773
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124945276
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110104413
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110104394
N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110117255
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110104434

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 124946755) is [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1cnc([C@H]2CCCN2C(=O)c2sccc2C)[nH]1.
What is the InChIKey of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is CAMVXTANZNSNPI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-5-7-19-12(9)14(18)17-6-3-4-11(17)13-15-8-10(2)16-13/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 275.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 124946755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).