2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole

C14H15FN2O — CID 44571888

IUPAC2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCOCc1cc(F)cc2c1CCC2c1ncc[nH]1
InChIInChI=1S/C14H15FN2O/c1-18-8-9-6-10(15)7-13-11(9)2-3-12(13)14-16-4-5-17-14/h4-7,12H,2-3,8H2,1H3,(H,16,17)
InChIKeyNGXJYXCPTRYKNN-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.77
Rot. Bonds3

About 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole

2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (PubChem CID 44571888) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
PubChem CID44571888
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCOCc1cc(F)cc2c1CCC2c1ncc[nH]1
InChIInChI=1S/C14H15FN2O/c1-18-8-9-6-10(15)7-13-11(9)2-3-12(13)14-16-4-5-17-14/h4-7,12H,2-3,8H2,1H3,(H,16,17)
InChIKeyNGXJYXCPTRYKNN-UHFFFAOYSA-N
XLogP2.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The IUPAC name of 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (CID 44571888) is 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.
What is the SMILES notation for 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The canonical SMILES for 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is COCc1cc(F)cc2c1CCC2c1ncc[nH]1.
What is the InChIKey of 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The InChIKey is NGXJYXCPTRYKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-8-9-6-10(15)7-13-11(9)2-3-12(13)14-16-4-5-17-14/h4-7,12H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole has a molecular weight of 246.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is sourced from PubChem (CID 44571888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).