2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine

C13H17F2N3 — CID 113308599

IUPAC2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C13H17F2N3/c1-3-13(4-2,7-16)12-17-10-6-8(14)5-9(15)11(10)18-12/h5-6H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyZJAZDKAGCSGZFH-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.86
Rot. Bonds4

About 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine

2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine (PubChem CID 113308599) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
PubChem CID113308599
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C13H17F2N3/c1-3-13(4-2,7-16)12-17-10-6-8(14)5-9(15)11(10)18-12/h5-6H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyZJAZDKAGCSGZFH-UHFFFAOYSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
CID 112556635
2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 81450045
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120
2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
CID 81449342
2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
CID 61496563
2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463194
1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine
CID 81449334
3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
CID 79806891
ethyl 1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutane-1-carboxylate
CID 81448307
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-ethylbutan-1-amine
CID 115430274
2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81455041
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
CID 103208892

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine?
The IUPAC name of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine (CID 113308599) is 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine is CCC(CC)(CN)c1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine?
The InChIKey is ZJAZDKAGCSGZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3/c1-3-13(4-2,7-16)12-17-10-6-8(14)5-9(15)11(10)18-12/h5-6H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine?
2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine has a molecular weight of 253.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine is sourced from PubChem (CID 113308599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).