2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine

C27H21F2N3O — CID 59130480

IUPAC2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCCOc1ccccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C27H21F2N3O/c1-2-33-25-9-4-3-6-20(25)19-12-10-18(11-13-19)16-32-15-14-23-24(17-32)31-27(30-23)21-7-5-8-22(28)26(21)29/h3-15,17H,2,16H2,1H3
InChIKeyJQAPTBGZAVQNPT-UHFFFAOYSA-N
MW441.48 g/mol
LogP6.44
Rot. Bonds6

About 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine

2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130480) has the molecular formula C27H21F2N3O and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130480
Molecular FormulaC27H21F2N3O
Molecular Weight441.48 g/mol
Exact Mass441.17
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCCOc1ccccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1
InChIInChI=1S/C27H21F2N3O/c1-2-33-25-9-4-3-6-20(25)19-12-10-18(11-13-19)16-32-15-14-23-24(17-32)31-27(30-23)21-7-5-8-22(28)26(21)29/h3-15,17H,2,16H2,1H3
InChIKeyJQAPTBGZAVQNPT-UHFFFAOYSA-N
XLogP6.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130480) is 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine is CCOc1ccccc1-c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is JQAPTBGZAVQNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O/c1-2-33-25-9-4-3-6-20(25)19-12-10-18(11-13-19)16-32-15-14-23-24(17-32)31-27(30-23)21-7-5-8-22(28)26(21)29/h3-15,17H,2,16H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 441.48 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-[[4-(2-ethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).