5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole

C23H23ClN2O2 — CID 46202376

IUPAC5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
SMILESCOc1ccc2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2
InChIInChI=1S/C23H23ClN2O2/c1-27-19-6-7-20-21(14-19)23(26-11-10-25-22(20)26,15-16-8-12-28-13-9-16)17-2-4-18(24)5-3-17/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3
InChIKeyXRZGTQYRLUSRHL-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.13
Rot. Bonds4

About 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole

5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole (PubChem CID 46202376) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
PubChem CID46202376
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
SMILESCOc1ccc2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2
InChIInChI=1S/C23H23ClN2O2/c1-27-19-6-7-20-21(14-19)23(26-11-10-25-22(20)26,15-16-8-12-28-13-9-16)17-2-4-18(24)5-3-17/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3
InChIKeyXRZGTQYRLUSRHL-UHFFFAOYSA-N
XLogP5.13
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole (CID 46202376) is 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole is COc1ccc2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2.
What is the InChIKey of 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
The InChIKey is XRZGTQYRLUSRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-27-19-6-7-20-21(14-19)23(26-11-10-25-22(20)26,15-16-8-12-28-13-9-16)17-2-4-18(24)5-3-17/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole has a molecular weight of 394.90 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 46202376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).