5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine

C13H17ClFN3O — CID 114943244

IUPAC5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine
SMILESCCOC(C)(C)Cn1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C13H17ClFN3O/c1-4-19-13(2,3)7-18-11-6-9(15)8(14)5-10(11)17-12(18)16/h5-6H,4,7H2,1-3H3,(H2,16,17)
InChIKeyLYAHOTFESJGGFC-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine (PubChem CID 114943244) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine
PubChem CID114943244
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine
SMILESCCOC(C)(C)Cn1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C13H17ClFN3O/c1-4-19-13(2,3)7-18-11-6-9(15)8(14)5-10(11)17-12(18)16/h5-6H,4,7H2,1-3H3,(H2,16,17)
InChIKeyLYAHOTFESJGGFC-UHFFFAOYSA-N
XLogP3.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66078519
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
2-(1-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-6-fluoro-5-iodobenzimidazole
CID 114943333
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole
CID 114943358
2-(1-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluoro-6-methylbenzimidazole
CID 103594085
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106035619
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine (CID 114943244) is 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine is CCOC(C)(C)Cn1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is LYAHOTFESJGGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-4-19-13(2,3)7-18-11-6-9(15)8(14)5-10(11)17-12(18)16/h5-6H,4,7H2,1-3H3,(H2,16,17).
What are the key properties of 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 285.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 114943244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).