1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one

C28H36N4O3 — CID 139519996

IUPAC1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C3CC4CCC(C3)O4)nc2)CCN1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C28H36N4O3/c33-24(18-30-10-9-21-3-1-2-4-22(21)17-30)19-32-12-11-31(28(32)34)16-20-5-8-27(29-15-20)23-13-25-6-7-26(14-23)35-25/h1-5,8,15,23-26,33H,6-7,9-14,16-19H2/t23?,24-,25?,26?/m1/s1
InChIKeyWBHWWAXGMGSGST-UFUNBNSISA-N
MW476.62 g/mol
LogP3.16
Rot. Bonds7

About 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one

1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 139519996) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one
PubChem CID139519996
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C3CC4CCC(C3)O4)nc2)CCN1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C28H36N4O3/c33-24(18-30-10-9-21-3-1-2-4-22(21)17-30)19-32-12-11-31(28(32)34)16-20-5-8-27(29-15-20)23-13-25-6-7-26(14-23)35-25/h1-5,8,15,23-26,33H,6-7,9-14,16-19H2/t23?,24-,25?,26?/m1/s1
InChIKeyWBHWWAXGMGSGST-UFUNBNSISA-N
XLogP3.16
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-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

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-pyridinyl]methyl]imidazolidin-2-one
CID 174234025
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]methyl]imidazolidin-2-one
CID 139519990
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 139520015
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-propan-2-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 139526842
1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 167218901
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-morpholin-4-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 174234040
6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile
CID 139511258
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 174234062
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 139526840
2-[1-[6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]piperidin-4-yl]-2-methylpropanoic acid
CID 174234042
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 155461932
1-[[5-(4-acetyl-2-methylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 174234048

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one (CID 139519996) is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one is O=C1N(Cc2ccc(C3CC4CCC(C3)O4)nc2)CCN1C[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is WBHWWAXGMGSGST-UFUNBNSISA-N. The full InChI is InChI=1S/C28H36N4O3/c33-24(18-30-10-9-21-3-1-2-4-22(21)17-30)19-32-12-11-31(28(32)34)16-20-5-8-27(29-15-20)23-13-25-6-7-26(14-23)35-25/h1-5,8,15,23-26,33H,6-7,9-14,16-19H2/t23?,24-,25?,26?/m1/s1.
What are the key properties of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one?
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 476.62 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[6-(8-oxabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 139519996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).