N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide

C28H34F2N4O2 — CID 142917273

IUPACN-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide
SMILESCCC1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3ccc(F)c(NC(C)=O)c3)CC2)C1=O
InChIInChI=1S/C28H34F2N4O2/c1-4-28(23-7-9-24(29)10-8-23)27(36)34(19(2)32-28)15-5-14-33-16-12-21(13-17-33)22-6-11-25(30)26(18-22)31-20(3)35/h6-11,18,21H,4-5,12-17H2,1-3H3,(H,31,35)
InChIKeyTUVFQUIGKCIAJD-UHFFFAOYSA-N
MW496.60 g/mol
LogP5.06
Rot. Bonds8

About N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide

N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide (PubChem CID 142917273) has the molecular formula C28H34F2N4O2 and a molecular weight of 496.60 g/mol. Its IUPAC name is N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide
PubChem CID142917273
Molecular FormulaC28H34F2N4O2
Molecular Weight496.60 g/mol
Exact Mass496.26
IUPAC NameN-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide
SMILESCCC1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3ccc(F)c(NC(C)=O)c3)CC2)C1=O
InChIInChI=1S/C28H34F2N4O2/c1-4-28(23-7-9-24(29)10-8-23)27(36)34(19(2)32-28)15-5-14-33-16-12-21(13-17-33)22-6-11-25(30)26(18-22)31-20(3)35/h6-11,18,21H,4-5,12-17H2,1-3H3,(H,31,35)
InChIKeyTUVFQUIGKCIAJD-UHFFFAOYSA-N
XLogP5.06
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide (CID 142917273) is N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide is CCC1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3ccc(F)c(NC(C)=O)c3)CC2)C1=O.
What is the InChIKey of N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide?
The InChIKey is TUVFQUIGKCIAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N4O2/c1-4-28(23-7-9-24(29)10-8-23)27(36)34(19(2)32-28)15-5-14-33-16-12-21(13-17-33)22-6-11-25(30)26(18-22)31-20(3)35/h6-11,18,21H,4-5,12-17H2,1-3H3,(H,31,35).
What are the key properties of N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide?
N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide has a molecular weight of 496.60 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 142917273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).