5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole

C9H13FN2 — CID 143212675

IUPAC5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole
SMILESCCc1[nH]c(C)nc1/C=C\CF
InChIInChI=1S/C9H13FN2/c1-3-8-9(5-4-6-10)12-7(2)11-8/h4-5H,3,6H2,1-2H3,(H,11,12)/b5-4-
InChIKeyPMZPIZYXFCGYQO-PLNGDYQASA-N
MW168.21 g/mol
LogP2.26
Rot. Bonds3

About 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole

5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole (PubChem CID 143212675) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole
PubChem CID143212675
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole
SMILESCCc1[nH]c(C)nc1/C=C\CF
InChIInChI=1S/C9H13FN2/c1-3-8-9(5-4-6-10)12-7(2)11-8/h4-5H,3,6H2,1-2H3,(H,11,12)/b5-4-
InChIKeyPMZPIZYXFCGYQO-PLNGDYQASA-N
XLogP2.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole (CID 143212675) is 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole is CCc1[nH]c(C)nc1/C=C\CF.
What is the InChIKey of 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
The InChIKey is PMZPIZYXFCGYQO-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13FN2/c1-3-8-9(5-4-6-10)12-7(2)11-8/h4-5H,3,6H2,1-2H3,(H,11,12)/b5-4-.
What are the key properties of 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole has a molecular weight of 168.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 143212675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).