4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine

C13H16FN3O — CID 115292281

IUPAC4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
SMILESCn1c(C2(N)CCOCC2)nc2ccc(F)cc21
InChIInChI=1S/C13H16FN3O/c1-17-11-8-9(14)2-3-10(11)16-12(17)13(15)4-6-18-7-5-13/h2-3,8H,4-7,15H2,1H3
InChIKeyNWGNXJHYGVVHOL-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.68
Rot. Bonds1

About 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine

4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine (PubChem CID 115292281) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
PubChem CID115292281
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
SMILESCn1c(C2(N)CCOCC2)nc2ccc(F)cc21
InChIInChI=1S/C13H16FN3O/c1-17-11-8-9(14)2-3-10(11)16-12(17)13(15)4-6-18-7-5-13/h2-3,8H,4-7,15H2,1H3
InChIKeyNWGNXJHYGVVHOL-UHFFFAOYSA-N
XLogP1.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine
CID 115292247
1-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290258
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
1-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 61290864
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine
CID 81162051
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
CID 62377574
6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
CID 104595977
[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
CID 115438879
6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983234
2-(chloromethyl)-6-fluoro-1-(4-methyloxan-4-yl)benzimidazole
CID 113491217
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 55164403

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine (CID 115292281) is 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine is Cn1c(C2(N)CCOCC2)nc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine?
The InChIKey is NWGNXJHYGVVHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-11-8-9(14)2-3-10(11)16-12(17)13(15)4-6-18-7-5-13/h2-3,8H,4-7,15H2,1H3.
What are the key properties of 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine?
4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine has a molecular weight of 249.29 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine is sourced from PubChem (CID 115292281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).