1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C21H32N4O2S — CID 121472723

IUPAC1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC1CC(N2CCN(C3=NCCN3S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C21H32N4O2S/c1-16(2)18-4-6-20(7-5-18)28(26,27)25-9-8-22-21(25)24-12-10-23(11-13-24)19-14-17(3)15-19/h4-7,16-17,19H,8-15H2,1-3H3
InChIKeyVRUAKJDGDLRJPD-UHFFFAOYSA-N
MW404.58 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121472723) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121472723
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC1CC(N2CCN(C3=NCCN3S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C21H32N4O2S/c1-16(2)18-4-6-20(7-5-18)28(26,27)25-9-8-22-21(25)24-12-10-23(11-13-24)19-14-17(3)15-19/h4-7,16-17,19H,8-15H2,1-3H3
InChIKeyVRUAKJDGDLRJPD-UHFFFAOYSA-N
XLogP2.59
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121472723) is 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC1CC(N2CCN(C3=NCCN3S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1.
What is the InChIKey of 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is VRUAKJDGDLRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-16(2)18-4-6-20(7-5-18)28(26,27)25-9-8-22-21(25)24-12-10-23(11-13-24)19-14-17(3)15-19/h4-7,16-17,19H,8-15H2,1-3H3.
What are the key properties of 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 404.58 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121472723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).