5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole

C11H10F2N2 — CID 143385192

IUPAC5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole
SMILESCc1ncc(C2=C(F)C=C(F)CC=C2)[nH]1
InChIInChI=1S/C11H10F2N2/c1-7-14-6-11(15-7)9-4-2-3-8(12)5-10(9)13/h2,4-6H,3H2,1H3,(H,14,15)
InChIKeyLTABKERXMPTBHT-UHFFFAOYSA-N
MW208.21 g/mol
LogP3.21
Rot. Bonds1

About 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole

5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole (PubChem CID 143385192) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole
PubChem CID143385192
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole
SMILESCc1ncc(C2=C(F)C=C(F)CC=C2)[nH]1
InChIInChI=1S/C11H10F2N2/c1-7-14-6-11(15-7)9-4-2-3-8(12)5-10(9)13/h2,4-6H,3H2,1H3,(H,14,15)
InChIKeyLTABKERXMPTBHT-UHFFFAOYSA-N
XLogP3.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole (CID 143385192) is 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole is Cc1ncc(C2=C(F)C=C(F)CC=C2)[nH]1.
What is the InChIKey of 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole?
The InChIKey is LTABKERXMPTBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-7-14-6-11(15-7)9-4-2-3-8(12)5-10(9)13/h2,4-6H,3H2,1H3,(H,14,15).
What are the key properties of 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole?
5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole has a molecular weight of 208.21 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorocyclohepta-1,3,6-trien-1-yl)-2-methyl-1H-imidazole is sourced from PubChem (CID 143385192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).