5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid

C12H11N3O5 — CID 115410954

IUPAC5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)[nH]2)c(C(=O)O)c1
InChIInChI=1S/C12H11N3O5/c1-20-6-2-3-8(7(4-6)11(17)18)14-10(16)9-5-13-12(19)15-9/h2-5H,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyGQTZSUFTOJQLSY-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.66
Rot. Bonds4

About 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid

5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid (PubChem CID 115410954) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
PubChem CID115410954
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)[nH]2)c(C(=O)O)c1
InChIInChI=1S/C12H11N3O5/c1-20-6-2-3-8(7(4-6)11(17)18)14-10(16)9-5-13-12(19)15-9/h2-5H,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyGQTZSUFTOJQLSY-UHFFFAOYSA-N
XLogP0.66
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 63091406
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410909
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
CID 78980996
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110860019
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
4-methoxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115411071
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid (CID 115410954) is 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid is COc1ccc(NC(=O)c2c[nH]c(=O)[nH]2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
The InChIKey is GQTZSUFTOJQLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c1-20-6-2-3-8(7(4-6)11(17)18)14-10(16)9-5-13-12(19)15-9/h2-5H,1H3,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid has a molecular weight of 277.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115410954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).