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

C19H16F2N2 — CID 12967925

IUPAC5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
SMILESFc1ccc(C2CC(Cc3cnc[nH]3)c3ccccc32)cc1F
InChIInChI=1S/C19H16F2N2/c20-18-6-5-12(9-19(18)21)17-8-13(7-14-10-22-11-23-14)15-3-1-2-4-16(15)17/h1-6,9-11,13,17H,7-8H2,(H,22,23)
InChIKeyMITPICMNWOJFLU-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.55
Rot. Bonds3

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

5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole (PubChem CID 12967925) has the molecular formula C19H16F2N2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
PubChem CID12967925
Molecular FormulaC19H16F2N2
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
SMILESFc1ccc(C2CC(Cc3cnc[nH]3)c3ccccc32)cc1F
InChIInChI=1S/C19H16F2N2/c20-18-6-5-12(9-19(18)21)17-8-13(7-14-10-22-11-23-14)15-3-1-2-4-16(15)17/h1-6,9-11,13,17H,7-8H2,(H,22,23)
InChIKeyMITPICMNWOJFLU-UHFFFAOYSA-N
XLogP4.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
The IUPAC name of 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole (CID 12967925) is 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole.
What is the SMILES notation for 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
The canonical SMILES for 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole is Fc1ccc(C2CC(Cc3cnc[nH]3)c3ccccc32)cc1F.
What is the InChIKey of 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
The InChIKey is MITPICMNWOJFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2/c20-18-6-5-12(9-19(18)21)17-8-13(7-14-10-22-11-23-14)15-3-1-2-4-16(15)17/h1-6,9-11,13,17H,7-8H2,(H,22,23).
What are the key properties of 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole?
5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole has a molecular weight of 310.35 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole is sourced from PubChem (CID 12967925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).