6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine

C14H19F2N3 — CID 83143531

IUPAC6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2ccc(F)c(F)c21)C(C)(C)C
InChIInChI=1S/C14H19F2N3/c1-8(14(2,3)4)7-19-12-10(18-13(19)17)6-5-9(15)11(12)16/h5-6,8H,7H2,1-4H3,(H2,17,18)
InChIKeyCQUZDFJKNOXPIQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.58
Rot. Bonds2

About 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine

6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine (PubChem CID 83143531) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
PubChem CID83143531
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2ccc(F)c(F)c21)C(C)(C)C
InChIInChI=1S/C14H19F2N3/c1-8(14(2,3)4)7-19-12-10(18-13(19)17)6-5-9(15)11(12)16/h5-6,8H,7H2,1-4H3,(H2,17,18)
InChIKeyCQUZDFJKNOXPIQ-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine (CID 83143531) is 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine is CC(Cn1c(N)nc2ccc(F)c(F)c21)C(C)(C)C.
What is the InChIKey of 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
The InChIKey is CQUZDFJKNOXPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c1-8(14(2,3)4)7-19-12-10(18-13(19)17)6-5-9(15)11(12)16/h5-6,8H,7H2,1-4H3,(H2,17,18).
What are the key properties of 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine is sourced from PubChem (CID 83143531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).