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

C12H14F3N3 — CID 114129973

IUPAC7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)CC(F)(F)F)c12
InChIInChI=1S/C12H14F3N3/c1-7-4-3-5-9-10(7)18(11(16)17-9)8(2)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H2,16,17)
InChIKeyQXCNBUDYJNPXMX-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.44
Rot. Bonds2

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

7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine (PubChem CID 114129973) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
PubChem CID114129973
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(C)CC(F)(F)F)c12
InChIInChI=1S/C12H14F3N3/c1-7-4-3-5-9-10(7)18(11(16)17-9)8(2)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H2,16,17)
InChIKeyQXCNBUDYJNPXMX-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129976
7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
CID 115552403
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
CID 115552359
1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine
CID 115552380
7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 113333995
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552367
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine
CID 115552225
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
CID 83017594

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine (CID 114129973) is 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine is Cc1cccc2nc(N)n(C(C)CC(F)(F)F)c12.
What is the InChIKey of 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
The InChIKey is QXCNBUDYJNPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-7-4-3-5-9-10(7)18(11(16)17-9)8(2)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H2,16,17).
What are the key properties of 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine?
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine has a molecular weight of 257.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 114129973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).