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

C13H14FN5 — CID 80688567

IUPAC4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
SMILESCn1cc(CCn2c(N)nc3c(F)cccc32)cn1
InChIInChI=1S/C13H14FN5/c1-18-8-9(7-16-18)5-6-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-4,7-8H,5-6H2,1H3,(H2,15,17)
InChIKeyIWXTVNLPBKXHPV-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.73
Rot. Bonds3

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

4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine (PubChem CID 80688567) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
PubChem CID80688567
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
SMILESCn1cc(CCn2c(N)nc3c(F)cccc32)cn1
InChIInChI=1S/C13H14FN5/c1-18-8-9(7-16-18)5-6-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-4,7-8H,5-6H2,1H3,(H2,15,17)
InChIKeyIWXTVNLPBKXHPV-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine (CID 80688567) is 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine is Cn1cc(CCn2c(N)nc3c(F)cccc32)cn1.
What is the InChIKey of 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine?
The InChIKey is IWXTVNLPBKXHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-18-8-9(7-16-18)5-6-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-4,7-8H,5-6H2,1H3,(H2,15,17).
What are the key properties of 4-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine?
4-fluoro-1-[2-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 80688567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).