2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C21H17FN6O — CID 121288460

IUPAC2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1cc2c(-c3c(-c4cc(-c5n[nH]nc5C)ccn4)ncn3C)ccc(F)c2o1
InChIInChI=1S/C21H17FN6O/c1-11-8-15-14(4-5-16(22)21(15)29-11)20-19(24-10-28(20)3)17-9-13(6-7-23-17)18-12(2)25-27-26-18/h4-10H,1-3H3,(H,25,26,27)
InChIKeyVMENEFDNBDOMBE-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.44
Rot. Bonds3

About 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121288460) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121288460
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1cc2c(-c3c(-c4cc(-c5n[nH]nc5C)ccn4)ncn3C)ccc(F)c2o1
InChIInChI=1S/C21H17FN6O/c1-11-8-15-14(4-5-16(22)21(15)29-11)20-19(24-10-28(20)3)17-9-13(6-7-23-17)18-12(2)25-27-26-18/h4-10H,1-3H3,(H,25,26,27)
InChIKeyVMENEFDNBDOMBE-UHFFFAOYSA-N
XLogP4.44
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
2-Benzo[b]furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 70691516
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16187303
8-(2,3-dimethylimidazol-4-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one
CID 164611835
2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
CID 118956772
(4-(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-
CID 139346171
US10676479, Example 67
CID 139346297
5-(((5-Fluorobenzofuran-4-yl)methyl)amino)-8-(2-methylpyridin-3-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155676961
US11220509, Example 28
CID 156050897
US11091495, Example 18
CID 156050979
3-(2,3-Dimethyl-1-benzofuran-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
CID 12445483
5-(2-aminopyrimidin-4-yl)-2-dibenzofuran-1-yl-1H-pyrrole-3-carboxamide
CID 57659334

Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121288460) is 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1cc2c(-c3c(-c4cc(-c5n[nH]nc5C)ccn4)ncn3C)ccc(F)c2o1.
What is the InChIKey of 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is VMENEFDNBDOMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-11-8-15-14(4-5-16(22)21(15)29-11)20-19(24-10-28(20)3)17-9-13(6-7-23-17)18-12(2)25-27-26-18/h4-10H,1-3H3,(H,25,26,27).
What are the key properties of 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 388.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-fluoro-2-methyl-1-benzofuran-4-yl)-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121288460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).