3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline

C24H24N2 — CID 53299495

IUPAC3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1
InChIInChI=1S/C24H24N2/c1-3-9-18(10-4-1)17-22-23(20-12-5-2-6-13-20)25-24-21-14-8-7-11-19(21)15-16-26(22)24/h2,5-8,11-16,18H,1,3-4,9-10,17H2
InChIKeyYDPSHUZIOCEIHN-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.28
Rot. Bonds3

About 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline

3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline (PubChem CID 53299495) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
PubChem CID53299495
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1
InChIInChI=1S/C24H24N2/c1-3-9-18(10-4-1)17-22-23(20-12-5-2-6-13-20)25-24-21-14-8-7-11-19(21)15-16-26(22)24/h2,5-8,11-16,18H,1,3-4,9-10,17H2
InChIKeyYDPSHUZIOCEIHN-UHFFFAOYSA-N
XLogP6.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline (CID 53299495) is 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline is c1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1.
What is the InChIKey of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
The InChIKey is YDPSHUZIOCEIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-3-9-18(10-4-1)17-22-23(20-12-5-2-6-13-20)25-24-21-14-8-7-11-19(21)15-16-26(22)24/h2,5-8,11-16,18H,1,3-4,9-10,17H2.
What are the key properties of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline has a molecular weight of 340.47 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 53299495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).