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

C13H18N2O3 — CID 7552

IUPAC2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(CC2=NCCN2)cc(OC)c1OC
InChIInChI=1S/C13H18N2O3/c1-16-10-6-9(8-12-14-4-5-15-12)7-11(17-2)13(10)18-3/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyXJNCXQWJMJWBEJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.26
Rot. Bonds5

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

2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 7552) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID7552
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(CC2=NCCN2)cc(OC)c1OC
InChIInChI=1S/C13H18N2O3/c1-16-10-6-9(8-12-14-4-5-15-12)7-11(17-2)13(10)18-3/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyXJNCXQWJMJWBEJ-UHFFFAOYSA-N
XLogP1.26
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methylmescaline
CID 138365
N-Methylmescaline hydrochloride
CID 12626560
Mixidine
CID 34003
2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 15327588
(4S)-4-(4,5-dihydro-1H-imidazol-2-yl)-3,4-dihydro-2H-chromene-7,8-diol
CID 44280971
5-(3,4,5-Trimethoxy-benzyl)-5,6-dihydro-pyrimidine-2,4-diamine
CID 44345035
(2S)-3-phenyl-2-N-[3-(3,4,5-trimethoxyphenyl)propyl]propane-1,2-diamine
CID 44143133
2-(3-Methoxy-benzyl)-4,5-dihydro-1H-imidazole
CID 14639163
(5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 16682583
(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 16745884
(5S)-N-hexadecyl-2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole-5-carboxamide
CID 44586637
4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethoxyphenol
CID 136822407

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 7552) is 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole is COc1cc(CC2=NCCN2)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is XJNCXQWJMJWBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-16-10-6-9(8-12-14-4-5-15-12)7-11(17-2)13(10)18-3/h6-7H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 250.30 g/mol, XLogP of 1.26, 5 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)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 7552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).