4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole

C17H16N2O — CID 70413946

IUPAC4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1C1CCc2c(ccc3ccccc23)O1
InChIInChI=1S/C17H16N2O/c1-11-17(19-10-18-11)16-9-7-14-13-5-3-2-4-12(13)6-8-15(14)20-16/h2-6,8,10,16H,7,9H2,1H3,(H,18,19)
InChIKeyWURUVGLZQKQWLM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.94
Rot. Bonds1

About 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole

4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole (PubChem CID 70413946) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole
PubChem CID70413946
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1C1CCc2c(ccc3ccccc23)O1
InChIInChI=1S/C17H16N2O/c1-11-17(19-10-18-11)16-9-7-14-13-5-3-2-4-12(13)6-8-15(14)20-16/h2-6,8,10,16H,7,9H2,1H3,(H,18,19)
InChIKeyWURUVGLZQKQWLM-UHFFFAOYSA-N
XLogP3.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole?
The IUPAC name of 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole (CID 70413946) is 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole?
The canonical SMILES for 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole is Cc1[nH]cnc1C1CCc2c(ccc3ccccc23)O1.
What is the InChIKey of 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole?
The InChIKey is WURUVGLZQKQWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-17(19-10-18-11)16-9-7-14-13-5-3-2-4-12(13)6-8-15(14)20-16/h2-6,8,10,16H,7,9H2,1H3,(H,18,19).
What are the key properties of 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole?
4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole has a molecular weight of 264.33 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole is sourced from PubChem (CID 70413946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).