2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole

C14H18N2O3 — CID 110539967

IUPAC2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole
SMILESCCCOc1c(OC)cc(-c2ncc[nH]2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-4-7-19-13-11(17-2)8-10(9-12(13)18-3)14-15-5-6-16-14/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyZEEMVBDKLGUKGP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.88
Rot. Bonds6

About 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole

2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole (PubChem CID 110539967) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole
PubChem CID110539967
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole
SMILESCCCOc1c(OC)cc(-c2ncc[nH]2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-4-7-19-13-11(17-2)8-10(9-12(13)18-3)14-15-5-6-16-14/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyZEEMVBDKLGUKGP-UHFFFAOYSA-N
XLogP2.88
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785125
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129
2-[5-(1H-imidazol-2-yl)-2,6-dimethoxynaphthalen-1-yl]-1H-imidazole
CID 169050106
5-chloro-3-methoxy-2-propoxybenzenethiol
CID 91874262
1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene
CID 141497622
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-(3-methoxy-5-nitro-4-propoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535460
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
2-(3,4-dimethylphenyl)-1H-imidazole
CID 12622727
1-bromo-3-methoxy-5-methyl-2-propoxybenzene
CID 19887974
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 56720449

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole (CID 110539967) is 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole is CCCOc1c(OC)cc(-c2ncc[nH]2)cc1OC.
What is the InChIKey of 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole?
The InChIKey is ZEEMVBDKLGUKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-7-19-13-11(17-2)8-10(9-12(13)18-3)14-15-5-6-16-14/h5-6,8-9H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole?
2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole has a molecular weight of 262.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole is sourced from PubChem (CID 110539967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).