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

C19H19ClN2O2 — CID 20856702

IUPAC2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-24-17-10-9-14(20)12-16(17)22-18(13-6-3-2-4-7-13)21-11-5-8-15(21)19(22)23/h2-4,6-7,9-10,12,15,18H,5,8,11H2,1H3
InChIKeyZTDFPVJPLDVDJK-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.86
Rot. Bonds3

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

2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 20856702) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID20856702
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-24-17-10-9-14(20)12-16(17)22-18(13-6-3-2-4-7-13)21-11-5-8-15(21)19(22)23/h2-4,6-7,9-10,12,15,18H,5,8,11H2,1H3
InChIKeyZTDFPVJPLDVDJK-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 20856702) is 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is ZTDFPVJPLDVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-24-17-10-9-14(20)12-16(17)22-18(13-6-3-2-4-7-13)21-11-5-8-15(21)19(22)23/h2-4,6-7,9-10,12,15,18H,5,8,11H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 342.83 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 20856702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).