5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

C13H14N2O — CID 169087995

IUPAC5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESCc1ccc2c(c1)C(c1cnc[nH]1)CCO2
InChIInChI=1S/C13H14N2O/c1-9-2-3-13-11(6-9)10(4-5-16-13)12-7-14-8-15-12/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
InChIKeyQEHIKOXIXWLMCV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.63
Rot. Bonds1

About 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (PubChem CID 169087995) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
PubChem CID169087995
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESCc1ccc2c(c1)C(c1cnc[nH]1)CCO2
InChIInChI=1S/C13H14N2O/c1-9-2-3-13-11(6-9)10(4-5-16-13)12-7-14-8-15-12/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
InChIKeyQEHIKOXIXWLMCV-UHFFFAOYSA-N
XLogP2.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (CID 169087995) is 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is Cc1ccc2c(c1)C(c1cnc[nH]1)CCO2.
What is the InChIKey of 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is QEHIKOXIXWLMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-3-13-11(6-9)10(4-5-16-13)12-7-14-8-15-12/h2-3,6-8,10H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 214.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 169087995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).