1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine

C14H18FN3O — CID 83028668

IUPAC1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine
SMILESCC1(C)CC(n2c(N)nc3ccc(F)cc32)CCO1
InChIInChI=1S/C14H18FN3O/c1-14(2)8-10(5-6-19-14)18-12-7-9(15)3-4-11(12)17-13(18)16/h3-4,7,10H,5-6,8H2,1-2H3,(H2,16,17)
InChIKeyRKVBMDRDRYHECN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.89
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine

1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine (PubChem CID 83028668) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine
PubChem CID83028668
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine
SMILESCC1(C)CC(n2c(N)nc3ccc(F)cc32)CCO1
InChIInChI=1S/C14H18FN3O/c1-14(2)8-10(5-6-19-14)18-12-7-9(15)3-4-11(12)17-13(18)16/h3-4,7,10H,5-6,8H2,1-2H3,(H2,16,17)
InChIKeyRKVBMDRDRYHECN-UHFFFAOYSA-N
XLogP2.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine (CID 83028668) is 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine is CC1(C)CC(n2c(N)nc3ccc(F)cc32)CCO1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine?
The InChIKey is RKVBMDRDRYHECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2)8-10(5-6-19-14)18-12-7-9(15)3-4-11(12)17-13(18)16/h3-4,7,10H,5-6,8H2,1-2H3,(H2,16,17).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine?
1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 83028668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).