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

C12H16FN3 — CID 79799093

IUPAC2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2ccc(F)cc2n1C
InChIInChI=1S/C12H16FN3/c1-4-12(2,14)11-15-9-6-5-8(13)7-10(9)16(11)3/h5-7H,4,14H2,1-3H3
InChIKeyNGXZUHQXUDSVHA-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.30
Rot. Bonds2

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

2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine (PubChem CID 79799093) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
PubChem CID79799093
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2ccc(F)cc2n1C
InChIInChI=1S/C12H16FN3/c1-4-12(2,14)11-15-9-6-5-8(13)7-10(9)16(11)3/h5-7H,4,14H2,1-3H3
InChIKeyNGXZUHQXUDSVHA-UHFFFAOYSA-N
XLogP2.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine (CID 79799093) is 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine is CCC(C)(N)c1nc2ccc(F)cc2n1C.
What is the InChIKey of 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine?
The InChIKey is NGXZUHQXUDSVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-4-12(2,14)11-15-9-6-5-8(13)7-10(9)16(11)3/h5-7H,4,14H2,1-3H3.
What are the key properties of 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine?
2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79799093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).