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

C17H15Cl2N3O — CID 3237770

IUPAC2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c18-13-6-5-12(9-14(13)19)22-16(11-3-1-7-20-10-11)21-8-2-4-15(21)17(22)23/h1,3,5-7,9-10,15-16H,2,4,8H2
InChIKeyYIFVYSKLNUMDFP-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.90
Rot. Bonds2

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

2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3237770) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3237770
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c18-13-6-5-12(9-14(13)19)22-16(11-3-1-7-20-10-11)21-8-2-4-15(21)17(22)23/h1,3,5-7,9-10,15-16H,2,4,8H2
InChIKeyYIFVYSKLNUMDFP-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 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3237770) is 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is YIFVYSKLNUMDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-13-6-5-12(9-14(13)19)22-16(11-3-1-7-20-10-11)21-8-2-4-15(21)17(22)23/h1,3,5-7,9-10,15-16H,2,4,8H2.
What are the key properties of 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(3,4-dichlorophenyl)-3-pyridin-3-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 2-(3,4-dichlorophenyl)-3-pyridin-3-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3237770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).