2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline

C25H26N2O — CID 53299388

IUPAC2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccccc1Cc1c(C2CCCCC2)nc2c3ccccc3ccn12
InChIInChI=1S/C25H26N2O/c1-28-23-14-8-6-12-20(23)17-22-24(19-10-3-2-4-11-19)26-25-21-13-7-5-9-18(21)15-16-27(22)25/h5-9,12-16,19H,2-4,10-11,17H2,1H3
InChIKeyMVJNDKLRQRGRFS-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.13
Rot. Bonds4

About 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline

2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 53299388) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID53299388
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccccc1Cc1c(C2CCCCC2)nc2c3ccccc3ccn12
InChIInChI=1S/C25H26N2O/c1-28-23-14-8-6-12-20(23)17-22-24(19-10-3-2-4-11-19)26-25-21-13-7-5-9-18(21)15-16-27(22)25/h5-9,12-16,19H,2-4,10-11,17H2,1H3
InChIKeyMVJNDKLRQRGRFS-UHFFFAOYSA-N
XLogP6.13
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline (CID 53299388) is 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline is COc1ccccc1Cc1c(C2CCCCC2)nc2c3ccccc3ccn12.
What is the InChIKey of 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is MVJNDKLRQRGRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-28-23-14-8-6-12-20(23)17-22-24(19-10-3-2-4-11-19)26-25-21-13-7-5-9-18(21)15-16-27(22)25/h5-9,12-16,19H,2-4,10-11,17H2,1H3.
What are the key properties of 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline?
2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 370.50 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 53299388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).