(5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H24N4OS — CID 72859135

IUPAC(5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(c3nccn3Cc3ccncc3)C2)s1
InChIInChI=1S/C21H24N4OS/c1-2-18-5-6-19(27-18)21(26)25-12-3-4-17(15-25)20-23-11-13-24(20)14-16-7-9-22-10-8-16/h5-11,13,17H,2-4,12,14-15H2,1H3
InChIKeyMLTBOKGRNKTCQK-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.97
Rot. Bonds5

About (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72859135) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72859135
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(c3nccn3Cc3ccncc3)C2)s1
InChIInChI=1S/C21H24N4OS/c1-2-18-5-6-19(27-18)21(26)25-12-3-4-17(15-25)20-23-11-13-24(20)14-16-7-9-22-10-8-16/h5-11,13,17H,2-4,12,14-15H2,1H3
InChIKeyMLTBOKGRNKTCQK-UHFFFAOYSA-N
XLogP3.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97285073
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281406
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 97121178
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97275108
[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 72869064
(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72927120
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97284377
(5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97149196
2-[2-[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97275991

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72859135) is (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCCC(c3nccn3Cc3ccncc3)C2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is MLTBOKGRNKTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-18-5-6-19(27-18)21(26)25-12-3-4-17(15-25)20-23-11-13-24(20)14-16-7-9-22-10-8-16/h5-11,13,17H,2-4,12,14-15H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 380.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72859135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).