4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine

C14H19F2N3 — CID 83143532

IUPAC4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2c(F)cc(F)cc21)C(C)(C)C
InChIInChI=1S/C14H19F2N3/c1-8(14(2,3)4)7-19-11-6-9(15)5-10(16)12(11)18-13(19)17/h5-6,8H,7H2,1-4H3,(H2,17,18)
InChIKeyATIDOTJAOGBLIP-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.58
Rot. Bonds2

About 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine

4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine (PubChem CID 83143532) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
PubChem CID83143532
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2c(F)cc(F)cc21)C(C)(C)C
InChIInChI=1S/C14H19F2N3/c1-8(14(2,3)4)7-19-11-6-9(15)5-10(16)12(11)18-13(19)17/h5-6,8H,7H2,1-4H3,(H2,17,18)
InChIKeyATIDOTJAOGBLIP-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 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine (CID 83143532) is 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine is CC(Cn1c(N)nc2c(F)cc(F)cc21)C(C)(C)C.
What is the InChIKey of 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
The InChIKey is ATIDOTJAOGBLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c1-8(14(2,3)4)7-19-11-6-9(15)5-10(16)12(11)18-13(19)17/h5-6,8H,7H2,1-4H3,(H2,17,18).
What are the key properties of 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine?
4,6-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 4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine is sourced from PubChem (CID 83143532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).