2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C18H17ClN2O — CID 3239489

IUPAC2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c19-14-8-10-15(11-9-14)21-17(13-5-2-1-3-6-13)20-12-4-7-16(20)18(21)22/h1-3,5-6,8-11,16-17H,4,7,12H2
InChIKeyXVUBHBUDXQCYBM-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.85
Rot. Bonds2

About 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3239489) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3239489
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c19-14-8-10-15(11-9-14)21-17(13-5-2-1-3-6-13)20-12-4-7-16(20)18(21)22/h1-3,5-6,8-11,16-17H,4,7,12H2
InChIKeyXVUBHBUDXQCYBM-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3239489) is 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccccc2)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is XVUBHBUDXQCYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-14-8-10-15(11-9-14)21-17(13-5-2-1-3-6-13)20-12-4-7-16(20)18(21)22/h1-3,5-6,8-11,16-17H,4,7,12H2.
What are the key properties of 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 312.80 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3239489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).