5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole

C21H14ClFN4O — CID 155808283

IUPAC5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3ccccn23)cc1
InChIInChI=1S/C21H14ClFN4O/c1-28-13-7-5-12(6-8-13)21-26-19(18-4-2-3-9-27(18)21)20-24-16-10-14(22)15(23)11-17(16)25-20/h2-11H,1H3,(H,24,25)
InChIKeyFEASBOFHLWVMFR-UHFFFAOYSA-N
MW392.82 g/mol
LogP5.35
Rot. Bonds3

About 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole

5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole (PubChem CID 155808283) has the molecular formula C21H14ClFN4O and a molecular weight of 392.82 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole
PubChem CID155808283
Molecular FormulaC21H14ClFN4O
Molecular Weight392.82 g/mol
Exact Mass392.08
IUPAC Name5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3ccccn23)cc1
InChIInChI=1S/C21H14ClFN4O/c1-28-13-7-5-12(6-8-13)21-26-19(18-4-2-3-9-27(18)21)20-24-16-10-14(22)15(23)11-17(16)25-20/h2-11H,1H3,(H,24,25)
InChIKeyFEASBOFHLWVMFR-UHFFFAOYSA-N
XLogP5.35
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.82
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole?
The IUPAC name of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole (CID 155808283) is 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole is COc1ccc(-c2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3ccccn23)cc1.
What is the InChIKey of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole?
The InChIKey is FEASBOFHLWVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O/c1-28-13-7-5-12(6-8-13)21-26-19(18-4-2-3-9-27(18)21)20-24-16-10-14(22)15(23)11-17(16)25-20/h2-11H,1H3,(H,24,25).
What are the key properties of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole?
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole has a molecular weight of 392.82 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 155808283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).