5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole

C23H24N2 — CID 91476831

IUPAC5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole
SMILESc1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C23H24N2/c1-3-9-18(10-4-1)17-23(19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-24-15-16-25(22)23/h2,5-8,11-16,18H,1,3-4,9-10,17H2
InChIKeyUSLRBFSWXBCTTG-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.63
Rot. Bonds3

About 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole

5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole (PubChem CID 91476831) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole
PubChem CID91476831
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole
SMILESc1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C23H24N2/c1-3-9-18(10-4-1)17-23(19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-24-15-16-25(22)23/h2,5-8,11-16,18H,1,3-4,9-10,17H2
InChIKeyUSLRBFSWXBCTTG-UHFFFAOYSA-N
XLogP5.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole?
The IUPAC name of 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole (CID 91476831) is 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole.
What is the SMILES notation for 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole?
The canonical SMILES for 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole is c1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1.
What is the InChIKey of 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole?
The InChIKey is USLRBFSWXBCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-3-9-18(10-4-1)17-23(19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-24-15-16-25(22)23/h2,5-8,11-16,18H,1,3-4,9-10,17H2.
What are the key properties of 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole?
5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole has a molecular weight of 328.46 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-5-phenylimidazo[2,1-a]isoindole is sourced from PubChem (CID 91476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).