1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine

C13H12F2N4O — CID 106375085

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(F)cc(F)cc32)oc1C
InChIInChI=1S/C13H12F2N4O/c1-6-7(2)20-11(17-6)5-19-10-4-8(14)3-9(15)12(10)18-13(19)16/h3-4H,5H2,1-2H3,(H2,16,18)
InChIKeyANAUOZMOXODOLU-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.55
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine (PubChem CID 106375085) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
PubChem CID106375085
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(F)cc(F)cc32)oc1C
InChIInChI=1S/C13H12F2N4O/c1-6-7(2)20-11(17-6)5-19-10-4-8(14)3-9(15)12(10)18-13(19)16/h3-4H,5H2,1-2H3,(H2,16,18)
InChIKeyANAUOZMOXODOLU-UHFFFAOYSA-N
XLogP2.55
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine (CID 106375085) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine is Cc1nc(Cn2c(N)nc3c(F)cc(F)cc32)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine?
The InChIKey is ANAUOZMOXODOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c1-6-7(2)20-11(17-6)5-19-10-4-8(14)3-9(15)12(10)18-13(19)16/h3-4H,5H2,1-2H3,(H2,16,18).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine has a molecular weight of 278.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 106375085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).