4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C20H19N3O3 — CID 162638487

IUPAC4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc2c(cc1-c1ccc(C3NCCc4[nH]cnc43)cc1)OCO2
InChIInChI=1S/C20H19N3O3/c1-24-16-9-18-17(25-11-26-18)8-14(16)12-2-4-13(5-3-12)19-20-15(6-7-21-19)22-10-23-20/h2-5,8-10,19,21H,6-7,11H2,1H3,(H,22,23)
InChIKeyCDXFVEXHVFVUSC-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.05
Rot. Bonds3

About 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 162638487) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID162638487
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc2c(cc1-c1ccc(C3NCCc4[nH]cnc43)cc1)OCO2
InChIInChI=1S/C20H19N3O3/c1-24-16-9-18-17(25-11-26-18)8-14(16)12-2-4-13(5-3-12)19-20-15(6-7-21-19)22-10-23-20/h2-5,8-10,19,21H,6-7,11H2,1H3,(H,22,23)
InChIKeyCDXFVEXHVFVUSC-UHFFFAOYSA-N
XLogP3.05
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 162638487) is 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is COc1cc2c(cc1-c1ccc(C3NCCc4[nH]cnc43)cc1)OCO2.
What is the InChIKey of 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is CDXFVEXHVFVUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-24-16-9-18-17(25-11-26-18)8-14(16)12-2-4-13(5-3-12)19-20-15(6-7-21-19)22-10-23-20/h2-5,8-10,19,21H,6-7,11H2,1H3,(H,22,23).
What are the key properties of 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 349.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162638487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).