4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline

C18H14N4 — CID 67516370

IUPAC4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline
SMILESc1ccc2c(-c3ccc(Cn4ccnc4)cn3)cncc2c1
InChIInChI=1S/C18H14N4/c1-2-4-16-15(3-1)10-20-11-17(16)18-6-5-14(9-21-18)12-22-8-7-19-13-22/h1-11,13H,12H2
InChIKeyUIMKXNCUTQFHAC-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.54
Rot. Bonds3

About 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline

4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline (PubChem CID 67516370) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Name4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline
PubChem CID67516370
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline
SMILESc1ccc2c(-c3ccc(Cn4ccnc4)cn3)cncc2c1
InChIInChI=1S/C18H14N4/c1-2-4-16-15(3-1)10-20-11-17(16)18-6-5-14(9-21-18)12-22-8-7-19-13-22/h1-11,13H,12H2
InChIKeyUIMKXNCUTQFHAC-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline?
The IUPAC name of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline (CID 67516370) is 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline.
What is the SMILES notation for 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline?
The canonical SMILES for 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline is c1ccc2c(-c3ccc(Cn4ccnc4)cn3)cncc2c1.
What is the InChIKey of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline?
The InChIKey is UIMKXNCUTQFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-4-16-15(3-1)10-20-11-17(16)18-6-5-14(9-21-18)12-22-8-7-19-13-22/h1-11,13H,12H2.
What are the key properties of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline?
4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline has a molecular weight of 286.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]isoquinoline is sourced from PubChem (CID 67516370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).