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

C20H27N5O2 — CID 139527147

IUPAC1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one
SMILESCn1nccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O
InChIInChI=1S/C20H27N5O2/c1-22-18(6-8-21-22)13-24-10-11-25(20(24)27)15-19(26)14-23-9-7-16-4-2-3-5-17(16)12-23/h2-6,8,19,26H,7,9-15H2,1H3
InChIKeyDSPGJVJPTLFOSL-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.08
Rot. Bonds6

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

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one (PubChem CID 139527147) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one
PubChem CID139527147
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one
SMILESCn1nccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O
InChIInChI=1S/C20H27N5O2/c1-22-18(6-8-21-22)13-24-10-11-25(20(24)27)15-19(26)14-23-9-7-16-4-2-3-5-17(16)12-23/h2-6,8,19,26H,7,9-15H2,1H3
InChIKeyDSPGJVJPTLFOSL-UHFFFAOYSA-N
XLogP1.08
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one (CID 139527147) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one is Cn1nccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one?
The InChIKey is DSPGJVJPTLFOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-22-18(6-8-21-22)13-24-10-11-25(20(24)27)15-19(26)14-23-9-7-16-4-2-3-5-17(16)12-23/h2-6,8,19,26H,7,9-15H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one?
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(2-methylpyrazol-3-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139527147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).