3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine

C12H16FN3 — CID 80539695

IUPAC3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc2ccc(F)cc2n1C
InChIInChI=1S/C12H16FN3/c1-8(5-6-14)12-15-10-4-3-9(13)7-11(10)16(12)2/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyQARVYGYJJXUXBO-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.16
Rot. Bonds3

About 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine

3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine (PubChem CID 80539695) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine
PubChem CID80539695
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc2ccc(F)cc2n1C
InChIInChI=1S/C12H16FN3/c1-8(5-6-14)12-15-10-4-3-9(13)7-11(10)16(12)2/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyQARVYGYJJXUXBO-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine (CID 80539695) is 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine is CC(CCN)c1nc2ccc(F)cc2n1C.
What is the InChIKey of 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is QARVYGYJJXUXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-8(5-6-14)12-15-10-4-3-9(13)7-11(10)16(12)2/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine?
3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 221.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 80539695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).