(7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one

C20H20N2O2 — CID 164665976

IUPAC(7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC(=O)N1C(=O)N2CCC[C@H]2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15(23)22-19(24)21-14-8-13-18(21)20(22,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-14H2,1H3/t18-/m0/s1
InChIKeyQLLWXUVOMWDXGB-SFHVURJKSA-N
MW320.39 g/mol
LogP3.38
Rot. Bonds2

About (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one

(7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one (PubChem CID 164665976) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name(7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one
PubChem CID164665976
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC(=O)N1C(=O)N2CCC[C@H]2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15(23)22-19(24)21-14-8-13-18(21)20(22,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-14H2,1H3/t18-/m0/s1
InChIKeyQLLWXUVOMWDXGB-SFHVURJKSA-N
XLogP3.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one (CID 164665976) is (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one is CC(=O)N1C(=O)N2CCC[C@H]2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The InChIKey is QLLWXUVOMWDXGB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15(23)22-19(24)21-14-8-13-18(21)20(22,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one?
(7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one has a molecular weight of 320.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-2-acetyl-1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 164665976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).