2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline

C26H28N2O — CID 51360030

IUPAC2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C26H28N2O/c1-18-16-22(29-2)13-12-21(18)17-24-25(20-9-4-3-5-10-20)27-26-23-11-7-6-8-19(23)14-15-28(24)26/h6-8,11-16,20H,3-5,9-10,17H2,1-2H3
InChIKeyZUCHDNSAGOOZOM-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.44
Rot. Bonds4

About 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline

2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 51360030) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID51360030
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C26H28N2O/c1-18-16-22(29-2)13-12-21(18)17-24-25(20-9-4-3-5-10-20)27-26-23-11-7-6-8-19(23)14-15-28(24)26/h6-8,11-16,20H,3-5,9-10,17H2,1-2H3
InChIKeyZUCHDNSAGOOZOM-UHFFFAOYSA-N
XLogP6.44
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (CID 51360030) is 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is COc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)c(C)c1.
What is the InChIKey of 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is ZUCHDNSAGOOZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18-16-22(29-2)13-12-21(18)17-24-25(20-9-4-3-5-10-20)27-26-23-11-7-6-8-19(23)14-15-28(24)26/h6-8,11-16,20H,3-5,9-10,17H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 384.52 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51360030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).