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

C23H21FN2O2 — CID 18553464

IUPAC2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc2ccccc2c1C1N(c2ccc(F)cc2)C(=O)C2CCCN21
InChIInChI=1S/C23H21FN2O2/c1-28-20-13-8-15-5-2-3-6-18(15)21(20)22-25-14-4-7-19(25)23(27)26(22)17-11-9-16(24)10-12-17/h2-3,5-6,8-13,19,22H,4,7,14H2,1H3
InChIKeyCKCYUEFZCAIOJU-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.50
Rot. Bonds3

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

2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 18553464) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID18553464
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc2ccccc2c1C1N(c2ccc(F)cc2)C(=O)C2CCCN21
InChIInChI=1S/C23H21FN2O2/c1-28-20-13-8-15-5-2-3-6-18(15)21(20)22-25-14-4-7-19(25)23(27)26(22)17-11-9-16(24)10-12-17/h2-3,5-6,8-13,19,22H,4,7,14H2,1H3
InChIKeyCKCYUEFZCAIOJU-UHFFFAOYSA-N
XLogP4.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-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-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 18553464) is 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc2ccccc2c1C1N(c2ccc(F)cc2)C(=O)C2CCCN21.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is CKCYUEFZCAIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-28-20-13-8-15-5-2-3-6-18(15)21(20)22-25-14-4-7-19(25)23(27)26(22)17-11-9-16(24)10-12-17/h2-3,5-6,8-13,19,22H,4,7,14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 376.43 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 18553464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).