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

C12H16N2O3 — CID 24820329

IUPAC2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)cc(OC)c1OC
InChIInChI=1S/C12H16N2O3/c1-15-9-6-8(12-13-4-5-14-12)7-10(16-2)11(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyKIIGFSYTKBZATN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.06
Rot. Bonds4

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

2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 24820329) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID24820329
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)cc(OC)c1OC
InChIInChI=1S/C12H16N2O3/c1-15-9-6-8(12-13-4-5-14-12)7-10(16-2)11(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyKIIGFSYTKBZATN-UHFFFAOYSA-N
XLogP1.06
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole (CID 24820329) is 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole is COc1cc(C2=NCCN2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is KIIGFSYTKBZATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-15-9-6-8(12-13-4-5-14-12)7-10(16-2)11(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole?
2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 236.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 24820329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).