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

C12H16N2O2 — CID 71404403

IUPAC2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(CC2=NCCN2)cc(OC)c1
InChIInChI=1S/C12H16N2O2/c1-15-10-5-9(6-11(8-10)16-2)7-12-13-3-4-14-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyBTLGDIONHJMVJV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.25
Rot. Bonds4

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

2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 71404403) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID71404403
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(CC2=NCCN2)cc(OC)c1
InChIInChI=1S/C12H16N2O2/c1-15-10-5-9(6-11(8-10)16-2)7-12-13-3-4-14-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyBTLGDIONHJMVJV-UHFFFAOYSA-N
XLogP1.25
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 71404403) is 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole is COc1cc(CC2=NCCN2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is BTLGDIONHJMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-15-10-5-9(6-11(8-10)16-2)7-12-13-3-4-14-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 220.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71404403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).