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

C13H17F2N3O2 — CID 82146284

IUPAC2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
SMILESCOCc1nc2cc(F)c(F)cc2n1CCOCCN
InChIInChI=1S/C13H17F2N3O2/c1-19-8-13-17-11-6-9(14)10(15)7-12(11)18(13)3-5-20-4-2-16/h6-7H,2-5,8,16H2,1H3
InChIKeyQRWPGBJCWFVSHE-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.44
Rot. Bonds7

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

2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine (PubChem CID 82146284) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
PubChem CID82146284
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
SMILESCOCc1nc2cc(F)c(F)cc2n1CCOCCN
InChIInChI=1S/C13H17F2N3O2/c1-19-8-13-17-11-6-9(14)10(15)7-12(11)18(13)3-5-20-4-2-16/h6-7H,2-5,8,16H2,1H3
InChIKeyQRWPGBJCWFVSHE-UHFFFAOYSA-N
XLogP1.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146164
2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94749356
2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
CID 82146026
[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756849
2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
CID 82146150
2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole
CID 63598961
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
2-[2-[2-(2-methylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethoxy]ethanamine
CID 94748968
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
3-[5,6-difluoro-2-(2-methoxyethyl)benzimidazol-1-yl]propanoic acid
CID 62805309
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine (CID 82146284) is 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine is COCc1nc2cc(F)c(F)cc2n1CCOCCN.
What is the InChIKey of 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine?
The InChIKey is QRWPGBJCWFVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-19-8-13-17-11-6-9(14)10(15)7-12(11)18(13)3-5-20-4-2-16/h6-7H,2-5,8,16H2,1H3.
What are the key properties of 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine?
2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine has a molecular weight of 285.29 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine is sourced from PubChem (CID 82146284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).