7-(imidazol-1-ylmethyl)isoquinoline

C13H11N3 — CID 10750911

IUPAC7-(imidazol-1-ylmethyl)isoquinoline
SMILESc1cc2ccc(Cn3ccnc3)cc2cn1
InChIInChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2
InChIKeySIZZGSWTNCSETD-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.48
Rot. Bonds2

About 7-(imidazol-1-ylmethyl)isoquinoline

7-(imidazol-1-ylmethyl)isoquinoline (PubChem CID 10750911) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 7-(imidazol-1-ylmethyl)isoquinoline.

Molecular Properties

Compound Name7-(imidazol-1-ylmethyl)isoquinoline
PubChem CID10750911
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name7-(imidazol-1-ylmethyl)isoquinoline
SMILESc1cc2ccc(Cn3ccnc3)cc2cn1
InChIInChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2
InChIKeySIZZGSWTNCSETD-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(imidazol-1-ylmethyl)isoquinoline?
The IUPAC name of 7-(imidazol-1-ylmethyl)isoquinoline (CID 10750911) is 7-(imidazol-1-ylmethyl)isoquinoline.
What is the SMILES notation for 7-(imidazol-1-ylmethyl)isoquinoline?
The canonical SMILES for 7-(imidazol-1-ylmethyl)isoquinoline is c1cc2ccc(Cn3ccnc3)cc2cn1.
What is the InChIKey of 7-(imidazol-1-ylmethyl)isoquinoline?
The InChIKey is SIZZGSWTNCSETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2.
What are the key properties of 7-(imidazol-1-ylmethyl)isoquinoline?
7-(imidazol-1-ylmethyl)isoquinoline has a molecular weight of 209.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(imidazol-1-ylmethyl)isoquinoline is sourced from PubChem (CID 10750911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).