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

C18H15FN4O2 — CID 136929715

IUPAC2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C18H15FN4O2/c1-24-16-6-3-10(7-17(16)25-2)13-9-15(23-22-13)18-20-12-5-4-11(19)8-14(12)21-18/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChIKeyLWNKKYHMSFNPRC-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.78
Rot. Bonds4

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

2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole (PubChem CID 136929715) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
PubChem CID136929715
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C18H15FN4O2/c1-24-16-6-3-10(7-17(16)25-2)13-9-15(23-22-13)18-20-12-5-4-11(19)8-14(12)21-18/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChIKeyLWNKKYHMSFNPRC-UHFFFAOYSA-N
XLogP3.78
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 60979329
5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929746
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 103597133
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 136929757
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 136929754
2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 46986195
3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
CID 155161295
5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
CID 136960198
2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
CID 136960216

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole (CID 136929715) is 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole is COc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
The InChIKey is LWNKKYHMSFNPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-24-16-6-3-10(7-17(16)25-2)13-9-15(23-22-13)18-20-12-5-4-11(19)8-14(12)21-18/h3-9H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole has a molecular weight of 338.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 136929715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).