1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole

C15H16F2N2 — CID 70464038

IUPAC1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole
SMILESCC(C)(C)C(=Cn1ccnc1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N2/c1-15(2,3)11(9-19-8-7-18-10-19)14-12(16)5-4-6-13(14)17/h4-10H,1-3H3
InChIKeyXACVVCLGYZSNKK-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.21
Rot. Bonds2

About 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole

1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole (PubChem CID 70464038) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole
PubChem CID70464038
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole
SMILESCC(C)(C)C(=Cn1ccnc1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N2/c1-15(2,3)11(9-19-8-7-18-10-19)14-12(16)5-4-6-13(14)17/h4-10H,1-3H3
InChIKeyXACVVCLGYZSNKK-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole (CID 70464038) is 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole is CC(C)(C)C(=Cn1ccnc1)c1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
The InChIKey is XACVVCLGYZSNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-15(2,3)11(9-19-8-7-18-10-19)14-12(16)5-4-6-13(14)17/h4-10H,1-3H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole has a molecular weight of 262.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole is sourced from PubChem (CID 70464038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).