1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine

C14H18FN3 — CID 81162051

IUPAC1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine
SMILESCC(C)n1c(C2(N)CCC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-9(2)18-12-8-10(15)4-5-11(12)17-13(18)14(16)6-3-7-14/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyZGXXSEYYLVZQOR-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.09
Rot. Bonds2

About 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine

1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine (PubChem CID 81162051) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine
PubChem CID81162051
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine
SMILESCC(C)n1c(C2(N)CCC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-9(2)18-12-8-10(15)4-5-11(12)17-13(18)14(16)6-3-7-14/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyZGXXSEYYLVZQOR-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436256
1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61292527
1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
CID 62377574
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
CID 115292281
1-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290258
1-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclopentan-1-amine
CID 61291958
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044382
4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290676
methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79734184
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine (CID 81162051) is 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine is CC(C)n1c(C2(N)CCC2)nc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine?
The InChIKey is ZGXXSEYYLVZQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9(2)18-12-8-10(15)4-5-11(12)17-13(18)14(16)6-3-7-14/h4-5,8-9H,3,6-7,16H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine?
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 81162051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).