1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine

C20H29N3O2S — CID 158425954

IUPAC1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CC(C3CC3)N=C2N2CCCCC2)cc1
InChIInChI=1S/C20H29N3O2S/c1-15(2)16-8-10-18(11-9-16)26(24,25)23-14-19(17-6-7-17)21-20(23)22-12-4-3-5-13-22/h8-11,15,17,19H,3-7,12-14H2,1-2H3
InChIKeyHBAYSELJAGLEEO-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.43
Rot. Bonds4

About 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine

1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine (PubChem CID 158425954) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
PubChem CID158425954
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CC(C3CC3)N=C2N2CCCCC2)cc1
InChIInChI=1S/C20H29N3O2S/c1-15(2)16-8-10-18(11-9-16)26(24,25)23-14-19(17-6-7-17)21-20(23)22-12-4-3-5-13-22/h8-11,15,17,19H,3-7,12-14H2,1-2H3
InChIKeyHBAYSELJAGLEEO-UHFFFAOYSA-N
XLogP3.43
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477813
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
CID 145118219
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871642

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The IUPAC name of 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine (CID 158425954) is 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine.
What is the SMILES notation for 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The canonical SMILES for 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine is CC(C)c1ccc(S(=O)(=O)N2CC(C3CC3)N=C2N2CCCCC2)cc1.
What is the InChIKey of 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
The InChIKey is HBAYSELJAGLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-15(2)16-8-10-18(11-9-16)26(24,25)23-14-19(17-6-7-17)21-20(23)22-12-4-3-5-13-22/h8-11,15,17,19H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine?
1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine has a molecular weight of 375.54 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine is sourced from PubChem (CID 158425954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).