[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

C16H22FN3 — CID 81162315

IUPAC[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCCCn1c(CC2(CN)CCC2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-2-9-20-13-6-3-5-12(17)15(13)19-14(20)10-16(11-18)7-4-8-16/h3,5-6H,2,4,7-11,18H2,1H3
InChIKeyYIQQZPQDVAUWTK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.26
Rot. Bonds5

About [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 81162315) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
PubChem CID81162315
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCCCn1c(CC2(CN)CCC2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-2-9-20-13-6-3-5-12(17)15(13)19-14(20)10-16(11-18)7-4-8-16/h3,5-6H,2,4,7-11,18H2,1H3
InChIKeyYIQQZPQDVAUWTK-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672217
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672025
[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161695
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784772
3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153970
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436238
2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83210870
[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 113309172
2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (CID 81162315) is [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is CCCn1c(CC2(CN)CCC2)nc2c(F)cccc21.
What is the InChIKey of [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is YIQQZPQDVAUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-9-20-13-6-3-5-12(17)15(13)19-14(20)10-16(11-18)7-4-8-16/h3,5-6H,2,4,7-11,18H2,1H3.
What are the key properties of [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 275.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81162315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).