2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline

C19H20N2 — CID 24809742

IUPAC2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
SMILESCc1nc2c3c(ccn2c1C)CCC(c1ccccc1)C3
InChIInChI=1S/C19H20N2/c1-13-14(2)21-11-10-16-8-9-17(12-18(16)19(21)20-13)15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3
InChIKeyFYVQOPORLQMQBO-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.22
Rot. Bonds1

About 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline

2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline (PubChem CID 24809742) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
PubChem CID24809742
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
SMILESCc1nc2c3c(ccn2c1C)CCC(c1ccccc1)C3
InChIInChI=1S/C19H20N2/c1-13-14(2)21-11-10-16-8-9-17(12-18(16)19(21)20-13)15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3
InChIKeyFYVQOPORLQMQBO-UHFFFAOYSA-N
XLogP4.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline (CID 24809742) is 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline is Cc1nc2c3c(ccn2c1C)CCC(c1ccccc1)C3.
What is the InChIKey of 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
The InChIKey is FYVQOPORLQMQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-14(2)21-11-10-16-8-9-17(12-18(16)19(21)20-13)15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12H2,1-2H3.
What are the key properties of 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline?
2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline has a molecular weight of 276.38 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 24809742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).