1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C20H20F3N3O — CID 45271548

IUPAC1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)17-6-3-7-18(12-17)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
InChIKeyJJRCKNMPBGKXPO-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.96
Rot. Bonds4

About 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 45271548) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID45271548
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)17-6-3-7-18(12-17)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
InChIKeyJJRCKNMPBGKXPO-UHFFFAOYSA-N
XLogP3.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 45271548) is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is JJRCKNMPBGKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)17-6-3-7-18(12-17)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 375.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 45271548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).