3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine

C12H10FN5 — CID 63262129

IUPAC3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
SMILESCn1c(-c2nccnc2N)nc2c(F)cccc21
InChIInChI=1S/C12H10FN5/c1-18-8-4-2-3-7(13)9(8)17-12(18)10-11(14)16-6-5-15-10/h2-6H,1H3,(H2,14,16)
InChIKeyLEOKARAEHGKSEG-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.75
Rot. Bonds1

About 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine

3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine (PubChem CID 63262129) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
PubChem CID63262129
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
SMILESCn1c(-c2nccnc2N)nc2c(F)cccc21
InChIInChI=1S/C12H10FN5/c1-18-8-4-2-3-7(13)9(8)17-12(18)10-11(14)16-6-5-15-10/h2-6H,1H3,(H2,14,16)
InChIKeyLEOKARAEHGKSEG-UHFFFAOYSA-N
XLogP1.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine?
The IUPAC name of 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine (CID 63262129) is 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine is Cn1c(-c2nccnc2N)nc2c(F)cccc21.
What is the InChIKey of 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine?
The InChIKey is LEOKARAEHGKSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-18-8-4-2-3-7(13)9(8)17-12(18)10-11(14)16-6-5-15-10/h2-6H,1H3,(H2,14,16).
What are the key properties of 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine?
3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine has a molecular weight of 243.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 63262129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).