5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

C15H19N3 — CID 81223902

IUPAC5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1nccn1-c1cccc2c1CCNC2
InChIInChI=1S/C15H19N3/c1-2-4-15-17-9-10-18(15)14-6-3-5-12-11-16-8-7-13(12)14/h3,5-6,9-10,16H,2,4,7-8,11H2,1H3
InChIKeyMSZMFQBPKRMXOT-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.47
Rot. Bonds3

About 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81223902) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID81223902
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1nccn1-c1cccc2c1CCNC2
InChIInChI=1S/C15H19N3/c1-2-4-15-17-9-10-18(15)14-6-3-5-12-11-16-8-7-13(12)14/h3,5-6,9-10,16H,2,4,7-8,11H2,1H3
InChIKeyMSZMFQBPKRMXOT-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 81223902) is 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCCc1nccn1-c1cccc2c1CCNC2.
What is the InChIKey of 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MSZMFQBPKRMXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-4-15-17-9-10-18(15)14-6-3-5-12-11-16-8-7-13(12)14/h3,5-6,9-10,16H,2,4,7-8,11H2,1H3.
What are the key properties of 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81223902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).