7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine

C11H11ClF3N3 — CID 114129976

IUPAC7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
SMILESCC(CC(F)(F)F)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C11H11ClF3N3/c1-6(5-11(13,14)15)18-9-7(12)3-2-4-8(9)17-10(18)16/h2-4,6H,5H2,1H3,(H2,16,17)
InChIKeyADGMVSYUTRJDRK-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.79
Rot. Bonds2

About 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine

7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine (PubChem CID 114129976) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
PubChem CID114129976
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
SMILESCC(CC(F)(F)F)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C11H11ClF3N3/c1-6(5-11(13,14)15)18-9-7(12)3-2-4-8(9)17-10(18)16/h2-4,6H,5H2,1H3,(H2,16,17)
InChIKeyADGMVSYUTRJDRK-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
7-chloro-1-(1-cyclopropylethyl)benzimidazol-2-amine
CID 43662113
7-chloro-1-hexan-3-ylbenzimidazol-2-amine
CID 62117285
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797
7-chloro-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843686
7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
CID 55260500
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
7-chlorobenzimidazole-1,2-diamine
CID 84618531
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552367
7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-2-amine
CID 43661446
7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
CID 107575892

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine (CID 114129976) is 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine is CC(CC(F)(F)F)n1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
The InChIKey is ADGMVSYUTRJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c1-6(5-11(13,14)15)18-9-7(12)3-2-4-8(9)17-10(18)16/h2-4,6H,5H2,1H3,(H2,16,17).
What are the key properties of 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine has a molecular weight of 277.68 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 114129976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).