3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

C32H28ClF2N3O3 — CID 10099644

IUPAC3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1
InChIInChI=1S/C32H28ClF2N3O3/c1-20-36-32(23-2-7-26(34)8-3-23,24-4-9-27(35)10-5-24)31(40)38(20)17-21-12-14-37(15-13-21)18-22-19-41-29-11-6-25(33)16-28(29)30(22)39/h2-11,16,19,21H,12-15,17-18H2,1H3
InChIKeyJSKFBTBEZNYXDI-UHFFFAOYSA-N
MW576.04 g/mol
LogP6.14
Rot. Bonds6

About 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (PubChem CID 10099644) has the molecular formula C32H28ClF2N3O3 and a molecular weight of 576.04 g/mol. Its IUPAC name is 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
PubChem CID10099644
Molecular FormulaC32H28ClF2N3O3
Molecular Weight576.04 g/mol
Exact Mass575.18
IUPAC Name3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1
InChIInChI=1S/C32H28ClF2N3O3/c1-20-36-32(23-2-7-26(34)8-3-23,24-4-9-27(35)10-5-24)31(40)38(20)17-21-12-14-37(15-13-21)18-22-19-41-29-11-6-25(33)16-28(29)30(22)39/h2-11,16,19,21H,12-15,17-18H2,1H3
InChIKeyJSKFBTBEZNYXDI-UHFFFAOYSA-N
XLogP6.14
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.04
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-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

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
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
3-[[1-[(6-Ethoxy-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917803
3-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 3387477
N-butyl-3-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3468119
3-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4586753
3-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)benzamide
CID 4986155
3-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
CID 5040873
3-[[1-[(6-Ethyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 9985459
3-[[1-[(6,8-Dimethyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053731
5,5-Bis(4-fluorophenyl)-3-[[1-[(6-methoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one
CID 10076809

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The IUPAC name of 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (CID 10099644) is 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.
What is the SMILES notation for 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The canonical SMILES for 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1.
What is the InChIKey of 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The InChIKey is JSKFBTBEZNYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClF2N3O3/c1-20-36-32(23-2-7-26(34)8-3-23,24-4-9-27(35)10-5-24)31(40)38(20)17-21-12-14-37(15-13-21)18-22-19-41-29-11-6-25(33)16-28(29)30(22)39/h2-11,16,19,21H,12-15,17-18H2,1H3.
What are the key properties of 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one has a molecular weight of 576.04 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 10099644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).