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

C16H8ClF3N4 — CID 136929679

IUPAC5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)[nH]n2)cc1F
InChIInChI=1S/C16H8ClF3N4/c17-8-4-13-14(5-10(8)19)22-16(21-13)15-6-12(23-24-15)7-1-2-9(18)11(20)3-7/h1-6H,(H,21,22)(H,23,24)
InChIKeyCNBBUAJVDRKTJN-UHFFFAOYSA-N
MW348.72 g/mol
LogP4.69
Rot. Bonds2

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

5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole (PubChem CID 136929679) has the molecular formula C16H8ClF3N4 and a molecular weight of 348.72 g/mol. Its IUPAC name is 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
PubChem CID136929679
Molecular FormulaC16H8ClF3N4
Molecular Weight348.72 g/mol
Exact Mass348.04
IUPAC Name5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)[nH]n2)cc1F
InChIInChI=1S/C16H8ClF3N4/c17-8-4-13-14(5-10(8)19)22-16(21-13)15-6-12(23-24-15)7-1-2-9(18)11(20)3-7/h1-6H,(H,21,22)(H,23,24)
InChIKeyCNBBUAJVDRKTJN-UHFFFAOYSA-N
XLogP4.69
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2H-indazol-3-yl)-1H-1,3-benzodiazole
CID 135464491
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CID 11652744
6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814236
3-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)-5-phenyl-pyrrol-2-amine
CID 71450630
3-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-phenyl-pyrrol-2-amine
CID 71459696
2-(3,5-Diphenyl-1H-pyrazol-4-yl)-1H-benzoimidazole
CID 821749
2-((5,7-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamidine
CID 44407546
2-(4-Chlorphenylmethyl)-5-chlorobenzimidazole
CID 14145021
6-Chloro-2-phenyl-1H-benzimidazole
CID 21041
2-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-5-methylpyrazol-3-amine
CID 718013
3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]hydrazinyl]propanenitrile
CID 5792341
CID 9641618
CID 9641618

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole (CID 136929679) is 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole is Fc1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)[nH]n2)cc1F.
What is the InChIKey of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
The InChIKey is CNBBUAJVDRKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3N4/c17-8-4-13-14(5-10(8)19)22-16(21-13)15-6-12(23-24-15)7-1-2-9(18)11(20)3-7/h1-6H,(H,21,22)(H,23,24).
What are the key properties of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole?
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole has a molecular weight of 348.72 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 136929679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).