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

C19H17FN4O3 — CID 136929765

IUPAC6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C19H17FN4O3/c1-25-16-6-10(7-17(26-2)18(16)27-3)13-9-15(24-23-13)19-21-12-5-4-11(20)8-14(12)22-19/h4-9H,1-3H3,(H,21,22)(H,23,24)
InChIKeyAWWHFLRMXILONY-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.78
Rot. Bonds5

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

6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 136929765) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID136929765
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C19H17FN4O3/c1-25-16-6-10(7-17(26-2)18(16)27-3)13-9-15(24-23-13)19-21-12-5-4-11(20)8-14(12)22-19/h4-9H,1-3H3,(H,21,22)(H,23,24)
InChIKeyAWWHFLRMXILONY-UHFFFAOYSA-N
XLogP3.78
TPSA85.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 136929765) is 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is COc1cc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is AWWHFLRMXILONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-25-16-6-10(7-17(26-2)18(16)27-3)13-9-15(24-23-13)19-21-12-5-4-11(20)8-14(12)22-19/h4-9H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 368.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136929765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).