5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

C17H12ClFN4O — CID 136929686

IUPAC5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)[nH]n2)cc1
InChIInChI=1S/C17H12ClFN4O/c1-24-10-4-2-9(3-5-10)13-8-16(23-22-13)17-20-14-6-11(18)12(19)7-15(14)21-17/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyWBKRIYJHQYTDMX-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.42
Rot. Bonds3

About 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 136929686) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID136929686
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)[nH]n2)cc1
InChIInChI=1S/C17H12ClFN4O/c1-24-10-4-2-9(3-5-10)13-8-16(23-22-13)17-20-14-6-11(18)12(19)7-15(14)21-17/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyWBKRIYJHQYTDMX-UHFFFAOYSA-N
XLogP4.42
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 136929686) is 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is COc1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)[nH]n2)cc1.
What is the InChIKey of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is WBKRIYJHQYTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-24-10-4-2-9(3-5-10)13-8-16(23-22-13)17-20-14-6-11(18)12(19)7-15(14)21-17/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 342.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136929686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).