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

C17H11ClF2N4 — CID 136960198

IUPAC5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
SMILESCc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)n[nH]3)nc2cc1Cl
InChIInChI=1S/C17H11ClF2N4/c1-8-4-14-15(6-10(8)18)22-17(21-14)16-7-13(23-24-16)9-2-3-11(19)12(20)5-9/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyCETZMGFPCIGUTF-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.86
Rot. Bonds2

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

5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole (PubChem CID 136960198) has the molecular formula C17H11ClF2N4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
PubChem CID136960198
Molecular FormulaC17H11ClF2N4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
SMILESCc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)n[nH]3)nc2cc1Cl
InChIInChI=1S/C17H11ClF2N4/c1-8-4-14-15(6-10(8)18)22-17(21-14)16-7-13(23-24-16)9-2-3-11(19)12(20)5-9/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyCETZMGFPCIGUTF-UHFFFAOYSA-N
XLogP4.86
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
CID 136960216
5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 95909583
5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929746
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
5-chloro-6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 130264624
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole (CID 136960198) is 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole is Cc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)n[nH]3)nc2cc1Cl.
What is the InChIKey of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole?
The InChIKey is CETZMGFPCIGUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4/c1-8-4-14-15(6-10(8)18)22-17(21-14)16-7-13(23-24-16)9-2-3-11(19)12(20)5-9/h2-7H,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole?
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole has a molecular weight of 344.75 g/mol, XLogP of 4.86, 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-methyl-1H-benzimidazole is sourced from PubChem (CID 136960198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).