1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine

C20H29N3S — CID 95142744

IUPAC1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine
SMILESCS[C@H](C)Cc1c(-c2ccccc2)ncn1CCN1CCCCC1
InChIInChI=1S/C20H29N3S/c1-17(24-2)15-19-20(18-9-5-3-6-10-18)21-16-23(19)14-13-22-11-7-4-8-12-22/h3,5-6,9-10,16-17H,4,7-8,11-15H2,1-2H3/t17-/m1/s1
InChIKeyOGVFRNHBPHRUPV-QGZVFWFLSA-N
MW343.54 g/mol
LogP4.33
Rot. Bonds7

About 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine

1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine (PubChem CID 95142744) has the molecular formula C20H29N3S and a molecular weight of 343.54 g/mol. Its IUPAC name is 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine
PubChem CID95142744
Molecular FormulaC20H29N3S
Molecular Weight343.54 g/mol
Exact Mass343.21
IUPAC Name1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine
SMILESCS[C@H](C)Cc1c(-c2ccccc2)ncn1CCN1CCCCC1
InChIInChI=1S/C20H29N3S/c1-17(24-2)15-19-20(18-9-5-3-6-10-18)21-16-23(19)14-13-22-11-7-4-8-12-22/h3,5-6,9-10,16-17H,4,7-8,11-15H2,1-2H3/t17-/m1/s1
InChIKeyOGVFRNHBPHRUPV-QGZVFWFLSA-N
XLogP4.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole
CID 50973243
3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
CID 10471976
5-[(2S)-2-(5-methylfuran-2-yl)propyl]-1-(2-methylsulfonylethyl)-4-phenylimidazole
CID 95137551
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide
CID 50975089
2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95135611
1-(3-phenylsulfanylbutyl)piperidine
CID 21391076
(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
CID 95119867
1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
CID 50960859
1-(3-methylsulfanylbutyl)pyrrolidine
CID 67812295
1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
CID 24985582
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine (CID 95142744) is 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine is CS[C@H](C)Cc1c(-c2ccccc2)ncn1CCN1CCCCC1.
What is the InChIKey of 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine?
The InChIKey is OGVFRNHBPHRUPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3S/c1-17(24-2)15-19-20(18-9-5-3-6-10-18)21-16-23(19)14-13-22-11-7-4-8-12-22/h3,5-6,9-10,16-17H,4,7-8,11-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine?
1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine has a molecular weight of 343.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 95142744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).