1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one

C26H28F4N4O — CID 19375689

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(C(F)(F)F)cc34)CC2)C1=O
InChIInChI=1S/C26H28F4N4O/c1-31-12-14-33(25(31)35)15-13-32-10-8-18(9-11-32)23-17-34(21-5-3-20(27)4-6-21)24-7-2-19(16-22(23)24)26(28,29)30/h2-7,16-18H,8-15H2,1H3
InChIKeyNESJNXKRWZSKQR-UHFFFAOYSA-N
MW488.53 g/mol
LogP5.34
Rot. Bonds5

About 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one (PubChem CID 19375689) has the molecular formula C26H28F4N4O and a molecular weight of 488.53 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one
PubChem CID19375689
Molecular FormulaC26H28F4N4O
Molecular Weight488.53 g/mol
Exact Mass488.22
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(C(F)(F)F)cc34)CC2)C1=O
InChIInChI=1S/C26H28F4N4O/c1-31-12-14-33(25(31)35)15-13-32-10-8-18(9-11-32)23-17-34(21-5-3-20(27)4-6-21)24-7-2-19(16-22(23)24)26(28,29)30/h2-7,16-18H,8-15H2,1H3
InChIKeyNESJNXKRWZSKQR-UHFFFAOYSA-N
XLogP5.34
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.53
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one (CID 19375689) is 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one is CN1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(C(F)(F)F)cc34)CC2)C1=O.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one?
The InChIKey is NESJNXKRWZSKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4N4O/c1-31-12-14-33(25(31)35)15-13-32-10-8-18(9-11-32)23-17-34(21-5-3-20(27)4-6-21)24-7-2-19(16-22(23)24)26(28,29)30/h2-7,16-18H,8-15H2,1H3.
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one has a molecular weight of 488.53 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 19375689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).