1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C24H30N4O3S — CID 121477852

IUPAC1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H30N4O3S/c1-31-23-8-3-2-7-22(23)19-9-11-21(12-10-19)32(29,30)28-14-13-25-24(28)27-17-15-26(16-18-27)20-5-4-6-20/h2-3,7-12,20H,4-6,13-18H2,1H3
InChIKeyHIDRPOIBKVINBA-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.89
Rot. Bonds5

About 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477852) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477852
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H30N4O3S/c1-31-23-8-3-2-7-22(23)19-9-11-21(12-10-19)32(29,30)28-14-13-25-24(28)27-17-15-26(16-18-27)20-5-4-6-20/h2-3,7-12,20H,4-6,13-18H2,1H3
InChIKeyHIDRPOIBKVINBA-UHFFFAOYSA-N
XLogP2.89
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477852) is 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is COc1ccccc1-c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is HIDRPOIBKVINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-31-23-8-3-2-7-22(23)19-9-11-21(12-10-19)32(29,30)28-14-13-25-24(28)27-17-15-26(16-18-27)20-5-4-6-20/h2-3,7-12,20H,4-6,13-18H2,1H3.
What are the key properties of 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 454.60 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).