5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one

C35H35F2N3O3 — CID 142917467

IUPAC5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
SMILESCCCc1ccc2occ(CN3CCC(CN4C(=O)C(c5ccc(F)cc5)(c5ccc(F)cc5)N=C4C)CC3)c(=O)c2c1
InChIInChI=1S/C35H35F2N3O3/c1-3-4-24-5-14-32-31(19-24)33(41)26(22-43-32)21-39-17-15-25(16-18-39)20-40-23(2)38-35(34(40)42,27-6-10-29(36)11-7-27)28-8-12-30(37)13-9-28/h5-14,19,22,25H,3-4,15-18,20-21H2,1-2H3
InChIKeyLPIALFWPESIAPE-UHFFFAOYSA-N
MW583.68 g/mol
LogP6.44
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one

5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one (PubChem CID 142917467) has the molecular formula C35H35F2N3O3 and a molecular weight of 583.68 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
PubChem CID142917467
Molecular FormulaC35H35F2N3O3
Molecular Weight583.68 g/mol
Exact Mass583.26
IUPAC Name5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
SMILESCCCc1ccc2occ(CN3CCC(CN4C(=O)C(c5ccc(F)cc5)(c5ccc(F)cc5)N=C4C)CC3)c(=O)c2c1
InChIInChI=1S/C35H35F2N3O3/c1-3-4-24-5-14-32-31(19-24)33(41)26(22-43-32)21-39-17-15-25(16-18-39)20-40-23(2)38-35(34(40)42,27-6-10-29(36)11-7-27)28-8-12-30(37)13-9-28/h5-14,19,22,25H,3-4,15-18,20-21H2,1-2H3
InChIKeyLPIALFWPESIAPE-UHFFFAOYSA-N
XLogP6.44
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.68
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-5-[(2-imino-5-oxo-4,4-diphenyl-imidazolidin-1-yl)methyl]-2-methoxy-N-methyl-benzamide
CID 135154293
3-[[1-[(5,7-Dimethyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053732
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propan-2-ylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
CID 11758004
2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide
CID 70868179
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917412
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
CID 142917514
5,5-Bis(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917758
3-[[1-[(6-Ethoxy-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917803
5-[(2-imino-5-oxo-4,4-diphenyl-imidazolidin-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 135163444
N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3303526
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3,5-bis(trifluoromethyl)benzamide
CID 3307462
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-prop-2-enylbenzamide
CID 3311320

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one (CID 142917467) is 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one is CCCc1ccc2occ(CN3CCC(CN4C(=O)C(c5ccc(F)cc5)(c5ccc(F)cc5)N=C4C)CC3)c(=O)c2c1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one?
The InChIKey is LPIALFWPESIAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N3O3/c1-3-4-24-5-14-32-31(19-24)33(41)26(22-43-32)21-39-17-15-25(16-18-39)20-40-23(2)38-35(34(40)42,27-6-10-29(36)11-7-27)28-8-12-30(37)13-9-28/h5-14,19,22,25H,3-4,15-18,20-21H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one has a molecular weight of 583.68 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one is sourced from PubChem (CID 142917467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).