5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole

C13H11FN2 — CID 68964481

IUPAC5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
SMILESFc1ccc2c(c1)/C(=C/c1cnc[nH]1)CC2
InChIInChI=1S/C13H11FN2/c14-11-4-3-9-1-2-10(13(9)6-11)5-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)/b10-5+
InChIKeyQCKSUYCANMZJOS-BJMVGYQFSA-N
MW214.24 g/mol
LogP3.04
Rot. Bonds1

About 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole

5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole (PubChem CID 68964481) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
PubChem CID68964481
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
SMILESFc1ccc2c(c1)/C(=C/c1cnc[nH]1)CC2
InChIInChI=1S/C13H11FN2/c14-11-4-3-9-1-2-10(13(9)6-11)5-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)/b10-5+
InChIKeyQCKSUYCANMZJOS-BJMVGYQFSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
The IUPAC name of 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole (CID 68964481) is 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
The canonical SMILES for 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole is Fc1ccc2c(c1)/C(=C/c1cnc[nH]1)CC2.
What is the InChIKey of 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
The InChIKey is QCKSUYCANMZJOS-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H11FN2/c14-11-4-3-9-1-2-10(13(9)6-11)5-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)/b10-5+.
What are the key properties of 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole has a molecular weight of 214.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(6-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole is sourced from PubChem (CID 68964481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).