1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one

C24H30FN3O3S — CID 53083148

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H30FN3O3S/c1-18(2)20-5-9-23(10-6-20)32(30,31)27-13-11-22(12-14-27)28-16-15-26(24(28)29)17-19-3-7-21(25)8-4-19/h3-10,18,22H,11-17H2,1-2H3
InChIKeyDPCXGNIBCDQXHN-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.04
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one (PubChem CID 53083148) has the molecular formula C24H30FN3O3S and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
PubChem CID53083148
Molecular FormulaC24H30FN3O3S
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H30FN3O3S/c1-18(2)20-5-9-23(10-6-20)32(30,31)27-13-11-22(12-14-27)28-16-15-26(24(28)29)17-19-3-7-21(25)8-4-19/h3-10,18,22H,11-17H2,1-2H3
InChIKeyDPCXGNIBCDQXHN-UHFFFAOYSA-N
XLogP4.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 53083134
1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one
CID 53083145
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205
1-[(4-fluorophenyl)methyl]-4-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53023714
1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
1-[1-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperidin-4-yl]-3-benzylimidazolidin-2-one
CID 176770004
1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 17267165
1-[(3-fluorophenyl)methyl]-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53004248
N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 53083190
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53053385
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one (CID 53083148) is 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one is CC(C)c1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The InChIKey is DPCXGNIBCDQXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S/c1-18(2)20-5-9-23(10-6-20)32(30,31)27-13-11-22(12-14-27)28-16-15-26(24(28)29)17-19-3-7-21(25)8-4-19/h3-10,18,22H,11-17H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one has a molecular weight of 459.59 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 53083148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).