5-(4-methoxyphenyl)-1H-imidazole

C10H10N2O — CID 3792851

IUPAC5-(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyWQROVAMZYXDXAB-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.09
Rot. Bonds2

About 5-(4-methoxyphenyl)-1H-imidazole

5-(4-methoxyphenyl)-1H-imidazole (PubChem CID 3792851) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1H-imidazole
PubChem CID3792851
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyWQROVAMZYXDXAB-UHFFFAOYSA-N
XLogP2.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 5-(4-methoxyphenyl)-1H-imidazole (CID 3792851) is 5-(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1H-imidazole?
The InChIKey is WQROVAMZYXDXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12).
What are the key properties of 5-(4-methoxyphenyl)-1H-imidazole?
5-(4-methoxyphenyl)-1H-imidazole has a molecular weight of 174.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 3792851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).