1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole

C14H18N2O2 — CID 56875587

IUPAC1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole
SMILESCOc1ccc(OC)c(-n2ccnc2C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)14-15-7-8-16(14)12-9-11(17-3)5-6-13(12)18-4/h5-10H,1-4H3
InChIKeyKKOUDYVAFVPUDO-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole

1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole (PubChem CID 56875587) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole
PubChem CID56875587
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole
SMILESCOc1ccc(OC)c(-n2ccnc2C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)14-15-7-8-16(14)12-9-11(17-3)5-6-13(12)18-4/h5-10H,1-4H3
InChIKeyKKOUDYVAFVPUDO-UHFFFAOYSA-N
XLogP3.01
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole (CID 56875587) is 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole is COc1ccc(OC)c(-n2ccnc2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole?
The InChIKey is KKOUDYVAFVPUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)14-15-7-8-16(14)12-9-11(17-3)5-6-13(12)18-4/h5-10H,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole?
1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole has a molecular weight of 246.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 56875587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).