1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine

C21H16FN3O — CID 164613523

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1cc(F)ccc1-c1cc2c(cn1)ncn2-c1ccc2c(c1)CCO2
InChIInChI=1S/C21H16FN3O/c1-13-8-15(22)2-4-17(13)18-10-20-19(11-23-18)24-12-25(20)16-3-5-21-14(9-16)6-7-26-21/h2-5,8-12H,6-7H2,1H3
InChIKeyUPKQTJZNMQQXMX-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.47
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine

1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 164613523) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID164613523
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1cc(F)ccc1-c1cc2c(cn1)ncn2-c1ccc2c(c1)CCO2
InChIInChI=1S/C21H16FN3O/c1-13-8-15(22)2-4-17(13)18-10-20-19(11-23-18)24-12-25(20)16-3-5-21-14(9-16)6-7-26-21/h2-5,8-12H,6-7H2,1H3
InChIKeyUPKQTJZNMQQXMX-UHFFFAOYSA-N
XLogP4.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine (CID 164613523) is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine is Cc1cc(F)ccc1-c1cc2c(cn1)ncn2-c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is UPKQTJZNMQQXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-13-8-15(22)2-4-17(13)18-10-20-19(11-23-18)24-12-25(20)16-3-5-21-14(9-16)6-7-26-21/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 345.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-(4-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 164613523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).