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

C22H28N4O2 — CID 139527013

IUPAC1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one
SMILESCc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
InChIInChI=1S/C22H28N4O2/c1-17-6-7-18(12-23-17)13-25-10-11-26(22(25)28)16-21(27)15-24-9-8-19-4-2-3-5-20(19)14-24/h2-7,12,21,27H,8-11,13-16H2,1H3
InChIKeyXVIDLOSIVYNDNA-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.05
Rot. Bonds6

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

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one (PubChem CID 139527013) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one
PubChem CID139527013
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one
SMILESCc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
InChIInChI=1S/C22H28N4O2/c1-17-6-7-18(12-23-17)13-25-10-11-26(22(25)28)16-21(27)15-24-9-8-19-4-2-3-5-20(19)14-24/h2-7,12,21,27H,8-11,13-16H2,1H3
InChIKeyXVIDLOSIVYNDNA-UHFFFAOYSA-N
XLogP2.05
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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 40
CID 139526962
US11365205, Example 56
CID 139527077
US11365205, Example 65
CID 139527159
US11365205, Example 77
CID 139527166
US11365205, Example 58
CID 149212262
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-Bis(3-methyl-25-isoquinolin-2-yl)-2-propanol
CID 3246124
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-methyl-3-pyridinyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one (CID 139527013) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-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-methyl-3-pyridinyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one is Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one?
The InChIKey is XVIDLOSIVYNDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-6-7-18(12-23-17)13-25-10-11-26(22(25)28)16-21(27)15-24-9-8-19-4-2-3-5-20(19)14-24/h2-7,12,21,27H,8-11,13-16H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one?
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-methyl-3-pyridinyl)methyl]imidazolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.05, 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-methyl-3-pyridinyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139527013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).