1-[(2,5-dimethoxyphenyl)methyl]imidazole

C12H14N2O2 — CID 82079239

IUPAC1-[(2,5-dimethoxyphenyl)methyl]imidazole
SMILESCOc1ccc(OC)c(Cn2ccnc2)c1
InChIInChI=1S/C12H14N2O2/c1-15-11-3-4-12(16-2)10(7-11)8-14-6-5-13-9-14/h3-7,9H,8H2,1-2H3
InChIKeyJVFJUNFQDRVMSA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.95
Rot. Bonds4

About 1-[(2,5-dimethoxyphenyl)methyl]imidazole

1-[(2,5-dimethoxyphenyl)methyl]imidazole (PubChem CID 82079239) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]imidazole
PubChem CID82079239
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]imidazole
SMILESCOc1ccc(OC)c(Cn2ccnc2)c1
InChIInChI=1S/C12H14N2O2/c1-15-11-3-4-12(16-2)10(7-11)8-14-6-5-13-9-14/h3-7,9H,8H2,1-2H3
InChIKeyJVFJUNFQDRVMSA-UHFFFAOYSA-N
XLogP1.95
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]ethanone
CID 43233068
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
4-[2-(imidazol-1-ylmethyl)-4-methoxyphenyl]but-3-yn-1-ol
CID 65323683
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367
N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
CID 167788715
2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
CID 154893005
N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 60878720
bis[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]methanone
CID 57036756
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]imidazole?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]imidazole (CID 82079239) is 1-[(2,5-dimethoxyphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]imidazole?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]imidazole is COc1ccc(OC)c(Cn2ccnc2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]imidazole?
The InChIKey is JVFJUNFQDRVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-11-3-4-12(16-2)10(7-11)8-14-6-5-13-9-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]imidazole?
1-[(2,5-dimethoxyphenyl)methyl]imidazole has a molecular weight of 218.26 g/mol, XLogP of 1.95, 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)methyl]imidazole is sourced from PubChem (CID 82079239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).