3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline

C17H20N2 — CID 58517636

IUPAC3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1c(C)n2c(C(C)(C)C)cnc2c2ccccc12
InChIInChI=1S/C17H20N2/c1-11-12(2)19-15(17(3,4)5)10-18-16(19)14-9-7-6-8-13(11)14/h6-10H,1-5H3
InChIKeySANPFHMSANHALC-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.40
Rot. Bonds

About 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline

3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline (PubChem CID 58517636) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline
PubChem CID58517636
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1c(C)n2c(C(C)(C)C)cnc2c2ccccc12
InChIInChI=1S/C17H20N2/c1-11-12(2)19-15(17(3,4)5)10-18-16(19)14-9-7-6-8-13(11)14/h6-10H,1-5H3
InChIKeySANPFHMSANHALC-UHFFFAOYSA-N
XLogP4.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline (CID 58517636) is 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline is Cc1c(C)n2c(C(C)(C)C)cnc2c2ccccc12.
What is the InChIKey of 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline?
The InChIKey is SANPFHMSANHALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-11-12(2)19-15(17(3,4)5)10-18-16(19)14-9-7-6-8-13(11)14/h6-10H,1-5H3.
What are the key properties of 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline?
3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline has a molecular weight of 252.36 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).