5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole

C14H14N2O — CID 169087982

IUPAC5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole
SMILESCc1cc(C)c2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C14H14N2O/c1-9-5-10(2)14-12(6-9)11(3-4-17-14)13-7-15-8-16-13/h3,5-8H,4H2,1-2H3,(H,15,16)
InChIKeyMRPFGFXFABIHOQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.85
Rot. Bonds1

About 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole

5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole (PubChem CID 169087982) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole
PubChem CID169087982
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole
SMILESCc1cc(C)c2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C14H14N2O/c1-9-5-10(2)14-12(6-9)11(3-4-17-14)13-7-15-8-16-13/h3,5-8H,4H2,1-2H3,(H,15,16)
InChIKeyMRPFGFXFABIHOQ-UHFFFAOYSA-N
XLogP2.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole (CID 169087982) is 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole is Cc1cc(C)c2c(c1)C(c1cnc[nH]1)=CCO2.
What is the InChIKey of 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is MRPFGFXFABIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-5-10(2)14-12(6-9)11(3-4-17-14)13-7-15-8-16-13/h3,5-8H,4H2,1-2H3,(H,15,16).
What are the key properties of 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole?
5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 226.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 169087982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).