4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

C13H14FN5 — CID 103008397

IUPAC4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2c(F)cccc21
InChIInChI=1S/C13H14FN5/c1-18-9(5-7-16-18)6-8-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-5,7H,6,8H2,1H3,(H2,15,17)
InChIKeyIZHDYHBLVZPATH-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.73
Rot. Bonds3

About 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 103008397) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID103008397
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2c(F)cccc21
InChIInChI=1S/C13H14FN5/c1-18-9(5-7-16-18)6-8-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-5,7H,6,8H2,1H3,(H2,15,17)
InChIKeyIZHDYHBLVZPATH-UHFFFAOYSA-N
XLogP1.73
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
CID 80688567
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 55171384
4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406056
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
CID 54932950

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (CID 103008397) is 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is Cn1nccc1CCn1c(N)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is IZHDYHBLVZPATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-18-9(5-7-16-18)6-8-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-5,7H,6,8H2,1H3,(H2,15,17).
What are the key properties of 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 259.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 103008397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).