4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one

C29H28Cl2FN3O — CID 142917320

IUPAC4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC(c3ccc(F)cc3)CC2)=NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H28Cl2FN3O/c30-24-9-5-22(6-10-24)29(23-7-11-25(31)12-8-23)28(36)33-27(34-29)2-1-17-35-18-15-21(16-19-35)20-3-13-26(32)14-4-20/h3-14,21H,1-2,15-19H2,(H,33,34,36)
InChIKeyBNKIVYMLPFXHDN-UHFFFAOYSA-N
MW524.47 g/mol
LogP6.56
Rot. Bonds7

About 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one

4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one (PubChem CID 142917320) has the molecular formula C29H28Cl2FN3O and a molecular weight of 524.47 g/mol. Its IUPAC name is 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one
PubChem CID142917320
Molecular FormulaC29H28Cl2FN3O
Molecular Weight524.47 g/mol
Exact Mass523.16
IUPAC Name4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC(c3ccc(F)cc3)CC2)=NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H28Cl2FN3O/c30-24-9-5-22(6-10-24)29(23-7-11-25(31)12-8-23)28(36)33-27(34-29)2-1-17-35-18-15-21(16-19-35)20-3-13-26(32)14-4-20/h3-14,21H,1-2,15-19H2,(H,33,34,36)
InChIKeyBNKIVYMLPFXHDN-UHFFFAOYSA-N
XLogP6.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.47
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,5-bis(4-chlorophenyl)-3-cyclohexylimidazol-4-one
CID 76332092
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
5,5-Bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 10387394
2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one
CID 67762326
(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one
CID 142917217
3-[3-[4-(4-Chlorophenyl)piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
CID 142917267
4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one
CID 142917287
3-[3-[4-(4-Chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one
CID 142917316
4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one
CID 142917352
4-(4-chlorophenyl)-2-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-4-methyl-1H-imidazol-5-one
CID 142917515
3-[3-(4-Amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917520
5,5-Bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one
CID 142917622

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
The IUPAC name of 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one (CID 142917320) is 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one.
What is the SMILES notation for 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
The canonical SMILES for 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one is O=C1NC(CCCN2CCC(c3ccc(F)cc3)CC2)=NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
The InChIKey is BNKIVYMLPFXHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2FN3O/c30-24-9-5-22(6-10-24)29(23-7-11-25(31)12-8-23)28(36)33-27(34-29)2-1-17-35-18-15-21(16-19-35)20-3-13-26(32)14-4-20/h3-14,21H,1-2,15-19H2,(H,33,34,36).
What are the key properties of 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one has a molecular weight of 524.47 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one is sourced from PubChem (CID 142917320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).