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

C23H21ClN2O2 — CID 20856772

IUPAC2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc2ccccc2c1C1N(c2ccc(Cl)cc2)C(=O)C2CCCN21
InChIInChI=1S/C23H21ClN2O2/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
InChIKeyHHPCSFOMEITELT-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.01
Rot. Bonds3

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

2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 20856772) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID20856772
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc2ccccc2c1C1N(c2ccc(Cl)cc2)C(=O)C2CCCN21
InChIInChI=1S/C23H21ClN2O2/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
InChIKeyHHPCSFOMEITELT-UHFFFAOYSA-N
XLogP5.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 20856772) is 2-(4-chlorophenyl)-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-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc2ccccc2c1C1N(c2ccc(Cl)cc2)C(=O)C2CCCN21.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is HHPCSFOMEITELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/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-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 392.89 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 20856772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).