(4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H25N3O2S — CID 3861981

IUPAC(4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3CCc3ccsc3)CC2)oc1C
InChIInChI=1S/C21H25N3O2S/c1-15-13-19(26-16(15)2)21(25)24-9-4-18(5-10-24)20-22-7-11-23(20)8-3-17-6-12-27-14-17/h6-7,11-14,18H,3-5,8-10H2,1-2H3
InChIKeyDADDMMMGEJWZCZ-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.42
Rot. Bonds5

About (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 3861981) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID3861981
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name(4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3CCc3ccsc3)CC2)oc1C
InChIInChI=1S/C21H25N3O2S/c1-15-13-19(26-16(15)2)21(25)24-9-4-18(5-10-24)20-22-7-11-23(20)8-3-17-6-12-27-14-17/h6-7,11-14,18H,3-5,8-10H2,1-2H3
InChIKeyDADDMMMGEJWZCZ-UHFFFAOYSA-N
XLogP4.42
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)cyclopropyl]-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3876045
N-(2-methyl-5-nitrophenyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide
CID 3853442
N-(1-adamantyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide
CID 3806297
1-(2,3-dihydroindol-1-yl)-4-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]butane-1,4-dione
CID 3860565
5-methoxy-3-[2-oxo-2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-2,3-dihydroinden-1-one
CID 3860287
4-[2-oxo-2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one
CID 3860562
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72896443
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 72909280
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 3861981) is (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3nccn3CCc3ccsc3)CC2)oc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is DADDMMMGEJWZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-13-19(26-16(15)2)21(25)24-9-4-18(5-10-24)20-22-7-11-23(20)8-3-17-6-12-27-14-17/h6-7,11-14,18H,3-5,8-10H2,1-2H3.
What are the key properties of (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 383.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3861981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).