2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine

C15H21F2N3O — CID 82146164

IUPAC2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1CCOCCN
InChIInChI=1S/C15H21F2N3O/c1-10(2)7-15-19-13-8-11(16)12(17)9-14(13)20(15)4-6-21-5-3-18/h8-10H,3-7,18H2,1-2H3
InChIKeyFHHJICLKSNWZGE-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.49
Rot. Bonds7

About 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine

2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine (PubChem CID 82146164) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine
PubChem CID82146164
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1CCOCCN
InChIInChI=1S/C15H21F2N3O/c1-10(2)7-15-19-13-8-11(16)12(17)9-14(13)20(15)4-6-21-5-3-18/h8-10H,3-7,18H2,1-2H3
InChIKeyFHHJICLKSNWZGE-UHFFFAOYSA-N
XLogP2.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-methylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethoxy]ethanamine
CID 94748968
2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146284
2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94749356
3-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]propanethioamide
CID 82149895
1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine
CID 82146166
2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
CID 82146150
4-[5,6-dichloro-2-(2-methylpropyl)benzimidazol-1-yl]butan-1-amine
CID 94749196
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
2-(chloromethyl)-6-fluoro-5-iodo-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 66095086
2-(2-chloroethyl)-6-fluoro-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 62376014
4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82149266
2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole
CID 63598961

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine (CID 82146164) is 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine is CC(C)Cc1nc2cc(F)c(F)cc2n1CCOCCN.
What is the InChIKey of 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine?
The InChIKey is FHHJICLKSNWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10(2)7-15-19-13-8-11(16)12(17)9-14(13)20(15)4-6-21-5-3-18/h8-10H,3-7,18H2,1-2H3.
What are the key properties of 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine?
2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine has a molecular weight of 297.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine is sourced from PubChem (CID 82146164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).