6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one

C18H18N2O — CID 21398390

IUPAC6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESO=C1C(c2ccccc2)CC2(c3ccccc3)NCCN12
InChIInChI=1S/C18H18N2O/c21-17-16(14-7-3-1-4-8-14)13-18(19-11-12-20(17)18)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2
InChIKeyOQHLGJVWPYXEFC-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.46
Rot. Bonds2

About 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one

6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (PubChem CID 21398390) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
PubChem CID21398390
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESO=C1C(c2ccccc2)CC2(c3ccccc3)NCCN12
InChIInChI=1S/C18H18N2O/c21-17-16(14-7-3-1-4-8-14)13-18(19-11-12-20(17)18)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2
InChIKeyOQHLGJVWPYXEFC-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (CID 21398390) is 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is O=C1C(c2ccccc2)CC2(c3ccccc3)NCCN12.
What is the InChIKey of 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The InChIKey is OQHLGJVWPYXEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-17-16(14-7-3-1-4-8-14)13-18(19-11-12-20(17)18)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2.
What are the key properties of 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one has a molecular weight of 278.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7a-diphenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 21398390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).