2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole

C8H13FN2 — CID 142083387

IUPAC2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole
SMILESC/C(F)=C\CC1=NCCN1C
InChIInChI=1S/C8H13FN2/c1-7(9)3-4-8-10-5-6-11(8)2/h3H,4-6H2,1-2H3/b7-3+
InChIKeyBGKWQZJLDFHDRP-XVNBXDOJSA-N
MW156.20 g/mol
LogP1.59
Rot. Bonds2

About 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole

2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 142083387) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole
PubChem CID142083387
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole
SMILESC/C(F)=C\CC1=NCCN1C
InChIInChI=1S/C8H13FN2/c1-7(9)3-4-8-10-5-6-11(8)2/h3H,4-6H2,1-2H3/b7-3+
InChIKeyBGKWQZJLDFHDRP-XVNBXDOJSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole (CID 142083387) is 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole is C/C(F)=C\CC1=NCCN1C.
What is the InChIKey of 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is BGKWQZJLDFHDRP-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H13FN2/c1-7(9)3-4-8-10-5-6-11(8)2/h3H,4-6H2,1-2H3/b7-3+.
What are the key properties of 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole?
2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 156.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 142083387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).