1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine

C15H19F2N3 — CID 82146331

IUPAC1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine
SMILESCCC(N)Cn1c(C2CCC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C15H19F2N3/c1-2-10(18)8-20-14-7-12(17)11(16)6-13(14)19-15(20)9-4-3-5-9/h6-7,9-10H,2-5,8,18H2,1H3
InChIKeyGKRFAEQSLDHYTF-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine

1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine (PubChem CID 82146331) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine
PubChem CID82146331
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine
SMILESCCC(N)Cn1c(C2CCC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C15H19F2N3/c1-2-10(18)8-20-14-7-12(17)11(16)6-13(14)19-15(20)9-4-3-5-9/h6-7,9-10H,2-5,8,18H2,1H3
InChIKeyGKRFAEQSLDHYTF-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
CID 82149737
2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
CID 82146329
2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile
CID 82146172
2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
CID 82146150
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 82488604
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol
CID 46308315
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94749356
1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145800

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine?
The IUPAC name of 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine (CID 82146331) is 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine.
What is the SMILES notation for 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine?
The canonical SMILES for 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine is CCC(N)Cn1c(C2CCC2)nc2cc(F)c(F)cc21.
What is the InChIKey of 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine?
The InChIKey is GKRFAEQSLDHYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-2-10(18)8-20-14-7-12(17)11(16)6-13(14)19-15(20)9-4-3-5-9/h6-7,9-10H,2-5,8,18H2,1H3.
What are the key properties of 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine?
1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 82146331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).