1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide

C30H37F2N5O3 — CID 143725255

IUPAC1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide
SMILESCCC(N)=O.O=C(c1c(-c2ccccc2)n(C2CCCCC2)c(=O)n1Cc1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C27H30F2N4O2.C3H7NO/c28-22-12-11-19(17-23(22)29)18-32-25(26(34)31-15-13-30-14-16-31)24(20-7-3-1-4-8-20)33(27(32)35)21-9-5-2-6-10-21;1-2-3(4)5/h1,3-4,7-8,11-12,17,21,30H,2,5-6,9-10,13-16,18H2;2H2,1H3,(H2,4,5)
InChIKeyGLXJLBCMEWFSJN-UHFFFAOYSA-N
MW553.65 g/mol
LogP4.08
Rot. Bonds6

About 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide

1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide (PubChem CID 143725255) has the molecular formula C30H37F2N5O3 and a molecular weight of 553.65 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide
PubChem CID143725255
Molecular FormulaC30H37F2N5O3
Molecular Weight553.65 g/mol
Exact Mass553.29
IUPAC Name1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide
SMILESCCC(N)=O.O=C(c1c(-c2ccccc2)n(C2CCCCC2)c(=O)n1Cc1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C27H30F2N4O2.C3H7NO/c28-22-12-11-19(17-23(22)29)18-32-25(26(34)31-15-13-30-14-16-31)24(20-7-3-1-4-8-20)33(27(32)35)21-9-5-2-6-10-21;1-2-3(4)5/h1,3-4,7-8,11-12,17,21,30H,2,5-6,9-10,13-16,18H2;2H2,1H3,(H2,4,5)
InChIKeyGLXJLBCMEWFSJN-UHFFFAOYSA-N
XLogP4.08
TPSA102.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.65
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide?
The IUPAC name of 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide (CID 143725255) is 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide.
What is the SMILES notation for 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide?
The canonical SMILES for 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide is CCC(N)=O.O=C(c1c(-c2ccccc2)n(C2CCCCC2)c(=O)n1Cc1ccc(F)c(F)c1)N1CCNCC1.
What is the InChIKey of 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide?
The InChIKey is GLXJLBCMEWFSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O2.C3H7NO/c28-22-12-11-19(17-23(22)29)18-32-25(26(34)31-15-13-30-14-16-31)24(20-7-3-1-4-8-20)33(27(32)35)21-9-5-2-6-10-21;1-2-3(4)5/h1,3-4,7-8,11-12,17,21,30H,2,5-6,9-10,13-16,18H2;2H2,1H3,(H2,4,5).
What are the key properties of 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide?
1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide has a molecular weight of 553.65 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide is sourced from PubChem (CID 143725255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).