(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C24H29N3O3 — CID 7883938

IUPAC(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1C(C)C
InChIInChI=1S/C24H29N3O3/c1-14(2)27-15(3)11-20(16(27)4)21(28)13-26-22(29)24(5,25-23(26)30)19-10-9-17-7-6-8-18(17)12-19/h9-12,14H,6-8,13H2,1-5H3,(H,25,30)/t24-/m1/s1
InChIKeyFNRJDPOQMKFKCR-XMMPIXPASA-N
MW407.51 g/mol
LogP3.82
Rot. Bonds5

About (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7883938) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7883938
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1C(C)C
InChIInChI=1S/C24H29N3O3/c1-14(2)27-15(3)11-20(16(27)4)21(28)13-26-22(29)24(5,25-23(26)30)19-10-9-17-7-6-8-18(17)12-19/h9-12,14H,6-8,13H2,1-5H3,(H,25,30)/t24-/m1/s1
InChIKeyFNRJDPOQMKFKCR-XMMPIXPASA-N
XLogP3.82
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 7883938) is (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-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-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1C(C)C.
What is the InChIKey of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FNRJDPOQMKFKCR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N3O3/c1-14(2)27-15(3)11-20(16(27)4)21(28)13-26-22(29)24(5,25-23(26)30)19-10-9-17-7-6-8-18(17)12-19/h9-12,14H,6-8,13H2,1-5H3,(H,25,30)/t24-/m1/s1.
What are the key properties of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 407.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7883938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).