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

C17H11Cl2FN4 — CID 136960216

IUPAC2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
SMILESCc1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1F
InChIInChI=1S/C17H11Cl2FN4/c1-8-4-14-15(6-12(8)20)22-17(21-14)16-7-13(23-24-16)9-2-3-10(18)11(19)5-9/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyOUPJICNOMSGRJW-UHFFFAOYSA-N
MW361.21 g/mol
LogP5.37
Rot. Bonds2

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

2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole (PubChem CID 136960216) has the molecular formula C17H11Cl2FN4 and a molecular weight of 361.21 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
PubChem CID136960216
Molecular FormulaC17H11Cl2FN4
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
SMILESCc1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1F
InChIInChI=1S/C17H11Cl2FN4/c1-8-4-14-15(6-12(8)20)22-17(21-14)16-7-13(23-24-16)9-2-3-10(18)11(19)5-9/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyOUPJICNOMSGRJW-UHFFFAOYSA-N
XLogP5.37
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.21
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
CID 136960198
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
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929746
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
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-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole (CID 136960216) is 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole is Cc1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1F.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole?
The InChIKey is OUPJICNOMSGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4/c1-8-4-14-15(6-12(8)20)22-17(21-14)16-7-13(23-24-16)9-2-3-10(18)11(19)5-9/h2-7H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole?
2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole has a molecular weight of 361.21 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole is sourced from PubChem (CID 136960216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).