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

C20H19FN2 — CID 70590803

IUPAC1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole
SMILESCC1CCc2ccc(C(c3ccccc3F)n3ccnc3)cc21
InChIInChI=1S/C20H19FN2/c1-14-6-7-15-8-9-16(12-18(14)15)20(23-11-10-22-13-23)17-4-2-3-5-19(17)21/h2-5,8-14,20H,6-7H2,1H3
InChIKeyUHBWLFAQVRJOFK-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.71
Rot. Bonds3

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

1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole (PubChem CID 70590803) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole
PubChem CID70590803
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole
SMILESCC1CCc2ccc(C(c3ccccc3F)n3ccnc3)cc21
InChIInChI=1S/C20H19FN2/c1-14-6-7-15-8-9-16(12-18(14)15)20(23-11-10-22-13-23)17-4-2-3-5-19(17)21/h2-5,8-14,20H,6-7H2,1H3
InChIKeyUHBWLFAQVRJOFK-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole?
The IUPAC name of 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole (CID 70590803) is 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole.
What is the SMILES notation for 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole?
The canonical SMILES for 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole is CC1CCc2ccc(C(c3ccccc3F)n3ccnc3)cc21.
What is the InChIKey of 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole?
The InChIKey is UHBWLFAQVRJOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-14-6-7-15-8-9-16(12-18(14)15)20(23-11-10-22-13-23)17-4-2-3-5-19(17)21/h2-5,8-14,20H,6-7H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole?
1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole has a molecular weight of 306.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole is sourced from PubChem (CID 70590803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).