1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole

C15H21N3S — CID 114704559

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
SMILESCc1cc(C(C)n2cncc2C2CCCN2)c(C)s1
InChIInChI=1S/C15H21N3S/c1-10-7-13(12(3)19-10)11(2)18-9-16-8-15(18)14-5-4-6-17-14/h7-9,11,14,17H,4-6H2,1-3H3
InChIKeyOVCZXSJZBHHBFJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.60
Rot. Bonds3

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole (PubChem CID 114704559) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
PubChem CID114704559
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
SMILESCc1cc(C(C)n2cncc2C2CCCN2)c(C)s1
InChIInChI=1S/C15H21N3S/c1-10-7-13(12(3)19-10)11(2)18-9-16-8-15(18)14-5-4-6-17-14/h7-9,11,14,17H,4-6H2,1-3H3
InChIKeyOVCZXSJZBHHBFJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
CID 114718480
1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942506
5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
CID 106390497
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416
1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
CID 114706396
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718487
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706687
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole (CID 114704559) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole is Cc1cc(C(C)n2cncc2C2CCCN2)c(C)s1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole?
The InChIKey is OVCZXSJZBHHBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10-7-13(12(3)19-10)11(2)18-9-16-8-15(18)14-5-4-6-17-14/h7-9,11,14,17H,4-6H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole has a molecular weight of 275.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114704559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).