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

C24H31N3O2 — CID 139513171

IUPAC3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccc(CN2CC(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C24H31N3O2/c1-18-7-9-20(10-8-18)14-26-13-19(2)27(24(26)29)17-23(28)16-25-12-11-21-5-3-4-6-22(21)15-25/h3-10,19,23,28H,11-17H2,1-2H3
InChIKeyMKNOYSDZIVKCPL-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.04
Rot. Bonds6

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

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 139513171) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one
PubChem CID139513171
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccc(CN2CC(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C24H31N3O2/c1-18-7-9-20(10-8-18)14-26-13-19(2)27(24(26)29)17-23(28)16-25-12-11-21-5-3-4-6-22(21)15-25/h3-10,19,23,28H,11-17H2,1-2H3
InChIKeyMKNOYSDZIVKCPL-UHFFFAOYSA-N
XLogP3.04
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one (CID 139513171) is 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one is Cc1ccc(CN2CC(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1.
What is the InChIKey of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is MKNOYSDZIVKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-7-9-20(10-8-18)14-26-13-19(2)27(24(26)29)17-23(28)16-25-12-11-21-5-3-4-6-22(21)15-25/h3-10,19,23,28H,11-17H2,1-2H3.
What are the key properties of 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one?
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methyl-1-[(4-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139513171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).