4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine

C12H15F2N3O — CID 113470598

IUPAC4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)(C)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2N3O/c1-12(2,6-18-3)17-9-5-7(13)4-8(14)10(9)16-11(17)15/h4-5H,6H2,1-3H3,(H2,15,16)
InChIKeyTUUGCSGIDMJXJE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.28
Rot. Bonds3

About 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine

4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine (PubChem CID 113470598) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine
PubChem CID113470598
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)(C)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2N3O/c1-12(2,6-18-3)17-9-5-7(13)4-8(14)10(9)16-11(17)15/h4-5H,6H2,1-3H3,(H2,15,16)
InChIKeyTUUGCSGIDMJXJE-UHFFFAOYSA-N
XLogP2.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
4,6-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
CID 115508885
3-(1-methoxy-2-methylpropan-2-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 113470595
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-methylbutanoate
CID 115508780
4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine
CID 115508758
1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
CID 113499218
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115508787
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine (CID 113470598) is 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine is COCC(C)(C)n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine?
The InChIKey is TUUGCSGIDMJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-12(2,6-18-3)17-9-5-7(13)4-8(14)10(9)16-11(17)15/h4-5H,6H2,1-3H3,(H2,15,16).
What are the key properties of 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine?
4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine has a molecular weight of 255.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(1-methoxy-2-methylpropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 113470598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).