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

C17H15Cl2N3O — CID 3236532

IUPAC3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(Cl)c(Cl)c2)N1c1ccccn1
InChIInChI=1S/C17H15Cl2N3O/c18-12-7-6-11(10-13(12)19)16-21-9-3-4-14(21)17(23)22(16)15-5-1-2-8-20-15/h1-2,5-8,10,14,16H,3-4,9H2
InChIKeyPFOFZGNHVJJPRT-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.90
Rot. Bonds2

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

3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3236532) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3236532
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(Cl)c(Cl)c2)N1c1ccccn1
InChIInChI=1S/C17H15Cl2N3O/c18-12-7-6-11(10-13(12)19)16-21-9-3-4-14(21)17(23)22(16)15-5-1-2-8-20-15/h1-2,5-8,10,14,16H,3-4,9H2
InChIKeyPFOFZGNHVJJPRT-UHFFFAOYSA-N
XLogP3.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3236532) is 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccc(Cl)c(Cl)c2)N1c1ccccn1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is PFOFZGNHVJJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-12-7-6-11(10-13(12)19)16-21-9-3-4-14(21)17(23)22(16)15-5-1-2-8-20-15/h1-2,5-8,10,14,16H,3-4,9H2.
What are the key properties of 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 348.23 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3236532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).