2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid

C20H26N2O4 — CID 154570969

IUPAC2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2nccn2CC2C(C)(C)C2(C)C)c(C(=O)O)c1OC
InChIInChI=1S/C20H26N2O4/c1-19(2)14(20(19,3)4)11-22-10-9-21-17(22)12-7-8-13(25-5)16(26-6)15(12)18(23)24/h7-10,14H,11H2,1-6H3,(H,23,24)
InChIKeyDFTBCUQXOOEDDR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.95
Rot. Bonds6

About 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid

2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid (PubChem CID 154570969) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid
PubChem CID154570969
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2nccn2CC2C(C)(C)C2(C)C)c(C(=O)O)c1OC
InChIInChI=1S/C20H26N2O4/c1-19(2)14(20(19,3)4)11-22-10-9-21-17(22)12-7-8-13(25-5)16(26-6)15(12)18(23)24/h7-10,14H,11H2,1-6H3,(H,23,24)
InChIKeyDFTBCUQXOOEDDR-UHFFFAOYSA-N
XLogP3.95
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
CID 146038906
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid
CID 22420303
4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56877204
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzoic acid
CID 117484659
2-(2,3-difluoro-4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 56863534
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid?
The IUPAC name of 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid (CID 154570969) is 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid.
What is the SMILES notation for 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid?
The canonical SMILES for 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid is COc1ccc(-c2nccn2CC2C(C)(C)C2(C)C)c(C(=O)O)c1OC.
What is the InChIKey of 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid?
The InChIKey is DFTBCUQXOOEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-19(2)14(20(19,3)4)11-22-10-9-21-17(22)12-7-8-13(25-5)16(26-6)15(12)18(23)24/h7-10,14H,11H2,1-6H3,(H,23,24).
What are the key properties of 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid?
2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid has a molecular weight of 358.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-yl]benzoic acid is sourced from PubChem (CID 154570969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).