1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C19H23F3N4O — CID 139913120

IUPAC1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2ccc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-1-2-17-14(13-15)3-9-26(17)16-4-7-24(8-5-16)11-12-25-10-6-23-18(25)27/h1-3,9,13,16H,4-8,10-12H2,(H,23,27)
InChIKeyTXBUYUZHRIXQAK-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.32
Rot. Bonds4

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

1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 139913120) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID139913120
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2ccc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-1-2-17-14(13-15)3-9-26(17)16-4-7-24(8-5-16)11-12-25-10-6-23-18(25)27/h1-3,9,13,16H,4-8,10-12H2,(H,23,27)
InChIKeyTXBUYUZHRIXQAK-UHFFFAOYSA-N
XLogP3.32
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 139913120) is 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(n2ccc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is TXBUYUZHRIXQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c20-19(21,22)15-1-2-17-14(13-15)3-9-26(17)16-4-7-24(8-5-16)11-12-25-10-6-23-18(25)27/h1-3,9,13,16H,4-8,10-12H2,(H,23,27).
What are the key properties of 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 380.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 139913120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).