(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

About (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 39968653) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID	39968653
Molecular Formula	C26H29N3O5
Molecular Weight	463.53 g/mol
Exact Mass	463.21
IUPAC Name	(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILES	COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C1=O)CC2
InChI	InChI=1S/C26H29N3O5/c1-26(20-8-7-16-5-4-6-17(16)11-20)24(31)29(25(32)27-26)15-23(30)28-10-9-18-12-21(33-2)22(34-3)13-19(18)14-28/h7-8,11-13H,4-6,9-10,14-15H2,1-3H3,(H,27,32)/t26-/m1/s1
InChIKey	WODHTJJQEVIVIL-AREMUKBSSA-N
XLogP	2.54
TPSA	88.18 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 39968653) is (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C1=O)CC2.

What is the InChIKey of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is WODHTJJQEVIVIL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-26(20-8-7-16-5-4-6-17(16)11-20)24(31)29(25(32)27-26)15-23(30)28-10-9-18-12-21(33-2)22(34-3)13-19(18)14-28/h7-8,11-13H,4-6,9-10,14-15H2,1-3H3,(H,27,32)/t26-/m1/s1.

What are the key properties of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 463.53 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 39968653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).