6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine

C11H9ClFN5 — CID 114089451

IUPAC6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine
SMILESCn1cc(-n2c(N)nc3cc(F)c(Cl)cc32)cn1
InChIInChI=1S/C11H9ClFN5/c1-17-5-6(4-15-17)18-10-2-7(12)8(13)3-9(10)16-11(18)14/h2-5H,1H3,(H2,14,16)
InChIKeyFJEGYWWRUWHTQW-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.13
Rot. Bonds1

About 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine

6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine (PubChem CID 114089451) has the molecular formula C11H9ClFN5 and a molecular weight of 265.68 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine
PubChem CID114089451
Molecular FormulaC11H9ClFN5
Molecular Weight265.68 g/mol
Exact Mass265.05
IUPAC Name6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine
SMILESCn1cc(-n2c(N)nc3cc(F)c(Cl)cc32)cn1
InChIInChI=1S/C11H9ClFN5/c1-17-5-6(4-15-17)18-10-2-7(12)8(13)3-9(10)16-11(18)14/h2-5H,1H3,(H2,14,16)
InChIKeyFJEGYWWRUWHTQW-UHFFFAOYSA-N
XLogP2.13
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904
1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502131
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66077324
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine (CID 114089451) is 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine is Cn1cc(-n2c(N)nc3cc(F)c(Cl)cc32)cn1.
What is the InChIKey of 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine?
The InChIKey is FJEGYWWRUWHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN5/c1-17-5-6(4-15-17)18-10-2-7(12)8(13)3-9(10)16-11(18)14/h2-5H,1H3,(H2,14,16).
What are the key properties of 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine?
6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine has a molecular weight of 265.68 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 114089451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).