[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine

C17H24FN3 — CID 115436256

IUPAC[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCC(C)n1c(C2(CN)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C17H24FN3/c1-12(2)21-15-10-13(18)6-7-14(15)20-16(21)17(11-19)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,19H2,1-2H3
InChIKeyJDYHTCRJOAGMRK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.92
Rot. Bonds3

About [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine

[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 115436256) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
PubChem CID115436256
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCC(C)n1c(C2(CN)CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C17H24FN3/c1-12(2)21-15-10-13(18)6-7-14(15)20-16(21)17(11-19)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,19H2,1-2H3
InChIKeyJDYHTCRJOAGMRK-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine
CID 81162051
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450574
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
CID 62377574
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144666
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
CID 115438879
2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 63772180
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044382

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine (CID 115436256) is [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine is CC(C)n1c(C2(CN)CCCCC2)nc2ccc(F)cc21.
What is the InChIKey of [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is JDYHTCRJOAGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-12(2)21-15-10-13(18)6-7-14(15)20-16(21)17(11-19)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,19H2,1-2H3.
What are the key properties of [1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine?
[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 3.92, 3 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)cyclohexyl]methanamine is sourced from PubChem (CID 115436256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).