4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

C20H24N4S — CID 70734472

IUPAC4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCCC(c3nccn3Cc3ccccc3)C2)cs1
InChIInChI=1S/C20H24N4S/c1-16-22-19(15-25-16)14-23-10-5-8-18(13-23)20-21-9-11-24(20)12-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3
InChIKeyURHUPUPUTLVJCR-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.08
Rot. Bonds5

About 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 70734472) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID70734472
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCCC(c3nccn3Cc3ccccc3)C2)cs1
InChIInChI=1S/C20H24N4S/c1-16-22-19(15-25-16)14-23-10-5-8-18(13-23)20-21-9-11-24(20)12-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3
InChIKeyURHUPUPUTLVJCR-UHFFFAOYSA-N
XLogP4.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 70766458
5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole
CID 96579700
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97197914
(2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72886278
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 70734472) is 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCCC(c3nccn3Cc3ccccc3)C2)cs1.
What is the InChIKey of 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is URHUPUPUTLVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-16-22-19(15-25-16)14-23-10-5-8-18(13-23)20-21-9-11-24(20)12-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3.
What are the key properties of 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 352.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 70734472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).