(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C19H16N6O4 — CID 58053577

IUPAC(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H16N6O4/c1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t19-/m0/s1
InChIKeyBKRURBSYJNMCSC-IBGZPJMESA-N
MW392.38 g/mol
LogP0.43
Rot. Bonds4

About (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053577) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58053577
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Name(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H16N6O4/c1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t19-/m0/s1
InChIKeyBKRURBSYJNMCSC-IBGZPJMESA-N
XLogP0.43
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053577) is (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BKRURBSYJNMCSC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16N6O4/c1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t19-/m0/s1.
What are the key properties of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 392.38 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).