6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine

C11H13F2N3O — CID 55086320

IUPAC6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C11H13F2N3O/c1-6(5-17-2)16-10-8(15-11(16)14)4-3-7(12)9(10)13/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeyYISCECRZIALUMI-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.10
Rot. Bonds3

About 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine

6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine (PubChem CID 55086320) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
PubChem CID55086320
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C11H13F2N3O/c1-6(5-17-2)16-10-8(15-11(16)14)4-3-7(12)9(10)13/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeyYISCECRZIALUMI-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine (CID 55086320) is 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine is COCC(C)n1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The InChIKey is YISCECRZIALUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-6(5-17-2)16-10-8(15-11(16)14)4-3-7(12)9(10)13/h3-4,6H,5H2,1-2H3,(H2,14,15).
What are the key properties of 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine has a molecular weight of 241.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 55086320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).