1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline

C14H13N3 — CID 59751466

IUPAC1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline
SMILESCC(c1cnc[nH]1)c1nccc2ccccc12
InChIInChI=1S/C14H13N3/c1-10(13-8-15-9-17-13)14-12-5-3-2-4-11(12)6-7-16-14/h2-10H,1H3,(H,15,17)
InChIKeyXDPYJSGPZOEXHG-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.11
Rot. Bonds2

About 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline

1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline (PubChem CID 59751466) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline.

Molecular Properties

Compound Name1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline
PubChem CID59751466
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline
SMILESCC(c1cnc[nH]1)c1nccc2ccccc12
InChIInChI=1S/C14H13N3/c1-10(13-8-15-9-17-13)14-12-5-3-2-4-11(12)6-7-16-14/h2-10H,1H3,(H,15,17)
InChIKeyXDPYJSGPZOEXHG-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline?
The IUPAC name of 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline (CID 59751466) is 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline.
What is the SMILES notation for 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline?
The canonical SMILES for 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline is CC(c1cnc[nH]1)c1nccc2ccccc12.
What is the InChIKey of 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline?
The InChIKey is XDPYJSGPZOEXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10(13-8-15-9-17-13)14-12-5-3-2-4-11(12)6-7-16-14/h2-10H,1H3,(H,15,17).
What are the key properties of 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline?
1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline has a molecular weight of 223.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline is sourced from PubChem (CID 59751466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).