2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine

C20H29N3S — CID 174165185

IUPAC2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine
SMILESCSC(C)CN1CCCCC1c1ncc(-c2cc(C)ccc2C)[nH]1
InChIInChI=1S/C20H29N3S/c1-14-8-9-15(2)17(11-14)18-12-21-20(22-18)19-7-5-6-10-23(19)13-16(3)24-4/h8-9,11-12,16,19H,5-7,10,13H2,1-4H3,(H,21,22)
InChIKeySREJCWDKLCKUGZ-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.97
Rot. Bonds5

About 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine

2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine (PubChem CID 174165185) has the molecular formula C20H29N3S and a molecular weight of 343.54 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine.

Molecular Properties

Compound Name2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine
PubChem CID174165185
Molecular FormulaC20H29N3S
Molecular Weight343.54 g/mol
Exact Mass343.21
IUPAC Name2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine
SMILESCSC(C)CN1CCCCC1c1ncc(-c2cc(C)ccc2C)[nH]1
InChIInChI=1S/C20H29N3S/c1-14-8-9-15(2)17(11-14)18-12-21-20(22-18)19-7-5-6-10-23(19)13-16(3)24-4/h8-9,11-12,16,19H,5-7,10,13H2,1-4H3,(H,21,22)
InChIKeySREJCWDKLCKUGZ-UHFFFAOYSA-N
XLogP4.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 174162371
4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 174162673
3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole
CID 174162500
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
2-amino-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(3-amino-2-methyl-4-oxobutyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutanal
CID 87525715
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 116877522
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094
1-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 138046241
(2S)-2,3-dimethyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one;sulfane
CID 158239742
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
2-methoxy-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 146152365

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine?
The IUPAC name of 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine (CID 174165185) is 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine.
What is the SMILES notation for 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine?
The canonical SMILES for 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine is CSC(C)CN1CCCCC1c1ncc(-c2cc(C)ccc2C)[nH]1.
What is the InChIKey of 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine?
The InChIKey is SREJCWDKLCKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3S/c1-14-8-9-15(2)17(11-14)18-12-21-20(22-18)19-7-5-6-10-23(19)13-16(3)24-4/h8-9,11-12,16,19H,5-7,10,13H2,1-4H3,(H,21,22).
What are the key properties of 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine?
2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine has a molecular weight of 343.54 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine is sourced from PubChem (CID 174165185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).