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

C20H30N2O3 — CID 90820484

IUPAC2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole
SMILESCOc1cc(-c2ncc(C(C)(C)CC(C)(C)C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H30N2O3/c1-19(2,3)12-20(4,5)16-11-21-18(22-16)13-9-14(23-6)17(25-8)15(10-13)24-7/h9-11H,12H2,1-8H3,(H,21,22)
InChIKeyGXSSCSIOYPPJBV-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.82
Rot. Bonds6

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

2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole (PubChem CID 90820484) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole
PubChem CID90820484
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole
SMILESCOc1cc(-c2ncc(C(C)(C)CC(C)(C)C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H30N2O3/c1-19(2,3)12-20(4,5)16-11-21-18(22-16)13-9-14(23-6)17(25-8)15(10-13)24-7/h9-11H,12H2,1-8H3,(H,21,22)
InChIKeyGXSSCSIOYPPJBV-UHFFFAOYSA-N
XLogP4.82
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
4-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 113452714
2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole
CID 55177668
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745
methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
CID 142749790
5-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 888792
5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879942
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 160633416
1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]indole
CID 175429008
5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187196
2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamine
CID 100516683
2-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]acetonitrile
CID 82386420

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole (CID 90820484) is 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole is COc1cc(-c2ncc(C(C)(C)CC(C)(C)C)[nH]2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole?
The InChIKey is GXSSCSIOYPPJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-19(2,3)12-20(4,5)16-11-21-18(22-16)13-9-14(23-6)17(25-8)15(10-13)24-7/h9-11H,12H2,1-8H3,(H,21,22).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole?
2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole has a molecular weight of 346.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole is sourced from PubChem (CID 90820484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).