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

C13H12N2O — CID 169088004

IUPAC5-(6-methyl-2H-chromen-4-yl)-1H-imidazole
SMILESCc1ccc2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C13H12N2O/c1-9-2-3-13-11(6-9)10(4-5-16-13)12-7-14-8-15-12/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyIPUGZPARCBDSBC-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.54
Rot. Bonds1

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

5-(6-methyl-2H-chromen-4-yl)-1H-imidazole (PubChem CID 169088004) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-methyl-2H-chromen-4-yl)-1H-imidazole
PubChem CID169088004
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name5-(6-methyl-2H-chromen-4-yl)-1H-imidazole
SMILESCc1ccc2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C13H12N2O/c1-9-2-3-13-11(6-9)10(4-5-16-13)12-7-14-8-15-12/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyIPUGZPARCBDSBC-UHFFFAOYSA-N
XLogP2.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole (CID 169088004) is 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole is Cc1ccc2c(c1)C(c1cnc[nH]1)=CCO2.
What is the InChIKey of 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is IPUGZPARCBDSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-2-3-13-11(6-9)10(4-5-16-13)12-7-14-8-15-12/h2-4,6-8H,5H2,1H3,(H,14,15).
What are the key properties of 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole?
5-(6-methyl-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 212.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 169088004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).