4-fluoro-1-methylbenzimidazol-2-amine

C8H8FN3 — CID 60789590

IUPAC4-fluoro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2c(F)cccc21
InChIInChI=1S/C8H8FN3/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKeyHZIBSZDHRLAIOV-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.29
Rot. Bonds

About 4-fluoro-1-methylbenzimidazol-2-amine

4-fluoro-1-methylbenzimidazol-2-amine (PubChem CID 60789590) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 4-fluoro-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-methylbenzimidazol-2-amine
PubChem CID60789590
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name4-fluoro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2c(F)cccc21
InChIInChI=1S/C8H8FN3/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKeyHZIBSZDHRLAIOV-UHFFFAOYSA-N
XLogP1.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylbenzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-methylbenzimidazol-2-amine (CID 60789590) is 4-fluoro-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-methylbenzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-methylbenzimidazol-2-amine is Cn1c(N)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methylbenzimidazol-2-amine?
The InChIKey is HZIBSZDHRLAIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3,(H2,10,11).
What are the key properties of 4-fluoro-1-methylbenzimidazol-2-amine?
4-fluoro-1-methylbenzimidazol-2-amine has a molecular weight of 165.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 60789590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).