3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

C17H16N4 — CID 43651656

IUPAC3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cncc(-c2cnc(C3Cc4ccccc4CN3)[nH]2)c1
InChIInChI=1S/C17H16N4/c1-2-5-13-10-19-15(8-12(13)4-1)17-20-11-16(21-17)14-6-3-7-18-9-14/h1-7,9,11,15,19H,8,10H2,(H,20,21)
InChIKeyVCQUDQORYFGQCX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.86
Rot. Bonds2

About 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 43651656) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID43651656
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cncc(-c2cnc(C3Cc4ccccc4CN3)[nH]2)c1
InChIInChI=1S/C17H16N4/c1-2-5-13-10-19-15(8-12(13)4-1)17-20-11-16(21-17)14-6-3-7-18-9-14/h1-7,9,11,15,19H,8,10H2,(H,20,21)
InChIKeyVCQUDQORYFGQCX-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 43651656) is 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is c1cncc(-c2cnc(C3Cc4ccccc4CN3)[nH]2)c1.
What is the InChIKey of 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VCQUDQORYFGQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-5-13-10-19-15(8-12(13)4-1)17-20-11-16(21-17)14-6-3-7-18-9-14/h1-7,9,11,15,19H,8,10H2,(H,20,21).
What are the key properties of 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 276.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 43651656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).