1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one

C22H25F3N4O2 — CID 139526962

IUPAC1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)nc2)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)20-6-5-16(11-26-20)12-28-9-10-29(21(28)31)15-19(30)14-27-8-7-17-3-1-2-4-18(17)13-27/h1-6,11,19,30H,7-10,12-15H2
InChIKeyOGICFLZGCROBFN-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.76
Rot. Bonds6

About 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 139526962) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one
PubChem CID139526962
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)nc2)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)20-6-5-16(11-26-20)12-28-9-10-29(21(28)31)15-19(30)14-27-8-7-17-3-1-2-4-18(17)13-27/h1-6,11,19,30H,7-10,12-15H2
InChIKeyOGICFLZGCROBFN-UHFFFAOYSA-N
XLogP2.76
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one with MolForge

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Related Compounds

US11685729, Example 32
CID 139330297
US11365205, Example 98
CID 139512959
1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 139519909
US11365205, Example 62
CID 139526855
US11365205, Example 56
CID 139527077
US11365205, Example 65
CID 139527159
US11365205, Example 77
CID 139527166
US11365205, Example 58
CID 149212262
1-[[6-(3,3-difluoro-8-azabicyclo[3.2.1]octan-8-yl)pyridin-3-yl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 155464635
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[3-fluoro-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 166637170
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 76684726
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 76684825

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one (CID 139526962) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one is O=C1N(Cc2ccc(C(F)(F)F)nc2)CCN1CC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is OGICFLZGCROBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c23-22(24,25)20-6-5-16(11-26-20)12-28-9-10-29(21(28)31)15-19(30)14-27-8-7-17-3-1-2-4-18(17)13-27/h1-6,11,19,30H,7-10,12-15H2.
What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one?
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 434.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 139526962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).