1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine

C15H21F2N3 — CID 82146166

IUPAC1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1CC(C)(C)N
InChIInChI=1S/C15H21F2N3/c1-9(2)5-14-19-12-6-10(16)11(17)7-13(12)20(14)8-15(3,4)18/h6-7,9H,5,8,18H2,1-4H3
InChIKeyPFELUTQXLGGRJY-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.25
Rot. Bonds4

About 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine

1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine (PubChem CID 82146166) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine
PubChem CID82146166
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1CC(C)(C)N
InChIInChI=1S/C15H21F2N3/c1-9(2)5-14-19-12-6-10(16)11(17)7-13(12)20(14)8-15(3,4)18/h6-7,9H,5,8,18H2,1-4H3
InChIKeyPFELUTQXLGGRJY-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
3-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]propanethioamide
CID 82149895
2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146164
4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82149266
4-[5,6-dichloro-2-(2-methylpropyl)benzimidazol-1-yl]butan-1-amine
CID 94749196
1-(5,6-difluorobenzotriazol-1-yl)-2-methylpropan-2-amine
CID 82146959
1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
CID 147971744
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
[4-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756838
5-chloro-2-(chloromethyl)-6-fluoro-1-(3-methylbutyl)benzimidazole
CID 66109616
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 82359124

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine (CID 82146166) is 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine is CC(C)Cc1nc2cc(F)c(F)cc2n1CC(C)(C)N.
What is the InChIKey of 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine?
The InChIKey is PFELUTQXLGGRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-9(2)5-14-19-12-6-10(16)11(17)7-13(12)20(14)8-15(3,4)18/h6-7,9H,5,8,18H2,1-4H3.
What are the key properties of 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine?
1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine has a molecular weight of 281.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 82146166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).