2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine

C23H21N3O2 — CID 68893694

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncc(C=Cc4ccccc4)cc3[nH]2)cc1OC
InChIInChI=1S/C23H21N3O2/c1-27-20-11-10-17(13-21(20)28-2)14-22-25-19-12-18(15-24-23(19)26-22)9-8-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChIKeySDZARETUXWSLRP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.74
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine

2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 68893694) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID68893694
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncc(C=Cc4ccccc4)cc3[nH]2)cc1OC
InChIInChI=1S/C23H21N3O2/c1-27-20-11-10-17(13-21(20)28-2)14-22-25-19-12-18(15-24-23(19)26-22)9-8-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChIKeySDZARETUXWSLRP-UHFFFAOYSA-N
XLogP4.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine (CID 68893694) is 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine is COc1ccc(Cc2nc3ncc(C=Cc4ccccc4)cc3[nH]2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is SDZARETUXWSLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-20-11-10-17(13-21(20)28-2)14-22-25-19-12-18(15-24-23(19)26-22)9-8-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine?
2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 371.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 68893694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).