3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine

C13H18FN3 — CID 65261564

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H18FN3/c1-12(2,13(3,4)15)11-16-9-6-5-8(14)7-10(9)17-11/h5-7H,15H2,1-4H3,(H,16,17)
InChIKeyIURINVHIXBUCQR-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.72
Rot. Bonds2

About 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine

3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine (PubChem CID 65261564) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine
PubChem CID65261564
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H18FN3/c1-12(2,13(3,4)15)11-16-9-6-5-8(14)7-10(9)17-11/h5-7H,15H2,1-4H3,(H,16,17)
InChIKeyIURINVHIXBUCQR-UHFFFAOYSA-N
XLogP2.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine (CID 65261564) is 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine is CC(C)(N)C(C)(C)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
The InChIKey is IURINVHIXBUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-12(2,13(3,4)15)11-16-9-6-5-8(14)7-10(9)17-11/h5-7H,15H2,1-4H3,(H,16,17).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 65261564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).