3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C17H17N3O — CID 3241816

IUPAC3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1ccccn1
InChIInChI=1S/C17H17N3O/c21-17-14-9-6-12-19(14)16(13-7-2-1-3-8-13)20(17)15-10-4-5-11-18-15/h1-5,7-8,10-11,14,16H,6,9,12H2
InChIKeyFHOUKTCDMZUIKD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.59
Rot. Bonds2

About 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3241816) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3241816
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1ccccn1
InChIInChI=1S/C17H17N3O/c21-17-14-9-6-12-19(14)16(13-7-2-1-3-8-13)20(17)15-10-4-5-11-18-15/h1-5,7-8,10-11,14,16H,6,9,12H2
InChIKeyFHOUKTCDMZUIKD-UHFFFAOYSA-N
XLogP2.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3241816) is 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccccc2)N1c1ccccn1.
What is the InChIKey of 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is FHOUKTCDMZUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17-14-9-6-12-19(14)16(13-7-2-1-3-8-13)20(17)15-10-4-5-11-18-15/h1-5,7-8,10-11,14,16H,6,9,12H2.
What are the key properties of 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 279.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3241816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).