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

C25H26N2 — CID 51359026

IUPAC2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C25H26N2/c1-18-11-13-19(14-12-18)17-23-24(21-8-3-2-4-9-21)26-25-22-10-6-5-7-20(22)15-16-27(23)25/h5-7,10-16,21H,2-4,8-9,17H2,1H3
InChIKeyJYYJGHKCFNXBIM-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.43
Rot. Bonds3

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

2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 51359026) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID51359026
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C25H26N2/c1-18-11-13-19(14-12-18)17-23-24(21-8-3-2-4-9-21)26-25-22-10-6-5-7-20(22)15-16-27(23)25/h5-7,10-16,21H,2-4,8-9,17H2,1H3
InChIKeyJYYJGHKCFNXBIM-UHFFFAOYSA-N
XLogP6.43
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (CID 51359026) is 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is Cc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)cc1.
What is the InChIKey of 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is JYYJGHKCFNXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-18-11-13-19(14-12-18)17-23-24(21-8-3-2-4-9-21)26-25-22-10-6-5-7-20(22)15-16-27(23)25/h5-7,10-16,21H,2-4,8-9,17H2,1H3.
What are the key properties of 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 354.50 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).