2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

C15H19ClN2O — CID 44599879

IUPAC2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC(c1ccc(Cl)cc1)N1CC2(C)CCCN2C1=O
InChIInChI=1S/C15H19ClN2O/c1-11(12-4-6-13(16)7-5-12)17-10-15(2)8-3-9-18(15)14(17)19/h4-7,11H,3,8-10H2,1-2H3
InChIKeyNJUOUEMSNSMBTK-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.69
Rot. Bonds2

About 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (PubChem CID 44599879) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
PubChem CID44599879
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC(c1ccc(Cl)cc1)N1CC2(C)CCCN2C1=O
InChIInChI=1S/C15H19ClN2O/c1-11(12-4-6-13(16)7-5-12)17-10-15(2)8-3-9-18(15)14(17)19/h4-7,11H,3,8-10H2,1-2H3
InChIKeyNJUOUEMSNSMBTK-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (CID 44599879) is 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is CC(c1ccc(Cl)cc1)N1CC2(C)CCCN2C1=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The InChIKey is NJUOUEMSNSMBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(12-4-6-13(16)7-5-12)17-10-15(2)8-3-9-18(15)14(17)19/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one has a molecular weight of 278.78 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 44599879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).