2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole

C11H14N2O2 — CID 15327588

IUPAC2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=NCCN2)cc1OC
InChIInChI=1S/C11H14N2O2/c1-14-9-4-3-8(7-10(9)15-2)11-12-5-6-13-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyNXHHUAOYFMCRFK-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.05
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole

2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 15327588) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID15327588
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=NCCN2)cc1OC
InChIInChI=1S/C11H14N2O2/c1-14-9-4-3-8(7-10(9)15-2)11-12-5-6-13-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyNXHHUAOYFMCRFK-UHFFFAOYSA-N
XLogP1.05
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole (CID 15327588) is 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is COc1ccc(C2=NCCN2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is NXHHUAOYFMCRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-9-4-3-8(7-10(9)15-2)11-12-5-6-13-11/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole?
2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 206.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 15327588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).