(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole

C11H17FN2 — CID 138535079

IUPAC(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
SMILESCC/C=C(F)\C=C1/CN=CN1C(C)C
InChIInChI=1S/C11H17FN2/c1-4-5-10(12)6-11-7-13-8-14(11)9(2)3/h5-6,8-9H,4,7H2,1-3H3/b10-5+,11-6+
InChIKeyBNWMJDOHOXNAGO-YOYBCKCWSA-N
MW196.27 g/mol
LogP2.89
Rot. Bonds3

About (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole (PubChem CID 138535079) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole.

Molecular Properties

Compound Name(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
PubChem CID138535079
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
SMILESCC/C=C(F)\C=C1/CN=CN1C(C)C
InChIInChI=1S/C11H17FN2/c1-4-5-10(12)6-11-7-13-8-14(11)9(2)3/h5-6,8-9H,4,7H2,1-3H3/b10-5+,11-6+
InChIKeyBNWMJDOHOXNAGO-YOYBCKCWSA-N
XLogP2.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole?
The IUPAC name of (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole (CID 138535079) is (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole.
What is the SMILES notation for (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole?
The canonical SMILES for (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole is CC/C=C(F)\C=C1/CN=CN1C(C)C.
What is the InChIKey of (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole?
The InChIKey is BNWMJDOHOXNAGO-YOYBCKCWSA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-5-10(12)6-11-7-13-8-14(11)9(2)3/h5-6,8-9H,4,7H2,1-3H3/b10-5+,11-6+.
What are the key properties of (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole?
(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole has a molecular weight of 196.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole is sourced from PubChem (CID 138535079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).