4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid

C20H18N2O5 — CID 45157100

IUPAC4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C20H18N2O5/c1-12-17(20(25)27-3)21-18(13-6-10-16(26-2)11-7-13)22(12)15-8-4-14(5-9-15)19(23)24/h4-11H,1-3H3,(H,23,24)
InChIKeyKNXKBJCJCZPOHQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.34
Rot. Bonds5

About 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid

4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid (PubChem CID 45157100) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid
PubChem CID45157100
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C20H18N2O5/c1-12-17(20(25)27-3)21-18(13-6-10-16(26-2)11-7-13)22(12)15-8-4-14(5-9-15)19(23)24/h4-11H,1-3H3,(H,23,24)
InChIKeyKNXKBJCJCZPOHQ-UHFFFAOYSA-N
XLogP3.34
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
CID 704743
4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6879124
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 90960617
[4-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42792027
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
CID 155174914
4-methoxybenzoic acid;pyridine
CID 174860408

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid?
The IUPAC name of 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid (CID 45157100) is 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid?
The canonical SMILES for 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid is COC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccc(C(=O)O)cc2)c1C.
What is the InChIKey of 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid?
The InChIKey is KNXKBJCJCZPOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-17(20(25)27-3)21-18(13-6-10-16(26-2)11-7-13)22(12)15-8-4-14(5-9-15)19(23)24/h4-11H,1-3H3,(H,23,24).
What are the key properties of 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid?
4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid has a molecular weight of 366.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid is sourced from PubChem (CID 45157100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).