5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole

C13H14F2N2 — CID 10847394

IUPAC5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cc2c(cc1F)CC(CC1CN=CN1)C2
InChIInChI=1S/C13H14F2N2/c14-12-4-9-1-8(2-10(9)5-13(12)15)3-11-6-16-7-17-11/h4-5,7-8,11H,1-3,6H2,(H,16,17)
InChIKeyAFODDVAUCQPPQC-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.07
Rot. Bonds2

About 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 10847394) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID10847394
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cc2c(cc1F)CC(CC1CN=CN1)C2
InChIInChI=1S/C13H14F2N2/c14-12-4-9-1-8(2-10(9)5-13(12)15)3-11-6-16-7-17-11/h4-5,7-8,11H,1-3,6H2,(H,16,17)
InChIKeyAFODDVAUCQPPQC-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole (CID 10847394) is 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole is Fc1cc2c(cc1F)CC(CC1CN=CN1)C2.
What is the InChIKey of 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is AFODDVAUCQPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c14-12-4-9-1-8(2-10(9)5-13(12)15)3-11-6-16-7-17-11/h4-5,7-8,11H,1-3,6H2,(H,16,17).
What are the key properties of 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 236.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10847394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).