4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

C12H13F2N3O — CID 82727870

IUPAC4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H13F2N3O/c1-6-9(2-3-18-6)17-10-5-7(13)4-8(14)11(10)16-12(17)15/h4-6,9H,2-3H2,1H3,(H2,15,16)
InChIKeySQDXOHRYZZRAAX-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.25
Rot. Bonds1

About 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (PubChem CID 82727870) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
PubChem CID82727870
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H13F2N3O/c1-6-9(2-3-18-6)17-10-5-7(13)4-8(14)11(10)16-12(17)15/h4-6,9H,2-3H2,1H3,(H2,15,16)
InChIKeySQDXOHRYZZRAAX-UHFFFAOYSA-N
XLogP2.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (CID 82727870) is 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is CC1OCCC1n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The InChIKey is SQDXOHRYZZRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-6-9(2-3-18-6)17-10-5-7(13)4-8(14)11(10)16-12(17)15/h4-6,9H,2-3H2,1H3,(H2,15,16).
What are the key properties of 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine has a molecular weight of 253.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 82727870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).