1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone

C26H31N3O3S — CID 90492931

IUPAC1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N3O3S/c1-20(2)33(31,32)24-10-8-21(9-11-24)18-25(30)28-15-12-22(13-16-28)19-29-17-14-27-26(29)23-6-4-3-5-7-23/h3-11,14,17,20,22H,12-13,15-16,18-19H2,1-2H3
InChIKeyCVXYEBMCPFGDIP-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.21
Rot. Bonds7

About 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone

1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone (PubChem CID 90492931) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
PubChem CID90492931
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N3O3S/c1-20(2)33(31,32)24-10-8-21(9-11-24)18-25(30)28-15-12-22(13-16-28)19-29-17-14-27-26(29)23-6-4-3-5-7-23/h3-11,14,17,20,22H,12-13,15-16,18-19H2,1-2H3
InChIKeyCVXYEBMCPFGDIP-UHFFFAOYSA-N
XLogP4.21
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90493537
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
1-(4-chlorophenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492938
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
CID 90494567
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493030
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone (CID 90492931) is 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone is CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The InChIKey is CVXYEBMCPFGDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-20(2)33(31,32)24-10-8-21(9-11-24)18-25(30)28-15-12-22(13-16-28)19-29-17-14-27-26(29)23-6-4-3-5-7-23/h3-11,14,17,20,22H,12-13,15-16,18-19H2,1-2H3.
What are the key properties of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone?
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone has a molecular weight of 465.62 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 90492931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).