4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid

C20H17N3O5 — CID 23943930

IUPAC4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid
SMILESCC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H17N3O5/c1-12(18(24)23-16-8-6-14(7-9-16)19(25)26)28-20(27)15-4-2-13(3-5-15)17-21-10-11-22-17/h2-12H,1H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyNJIKKPGGXGNVKO-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.96
Rot. Bonds6

About 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid

4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid (PubChem CID 23943930) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid
PubChem CID23943930
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid
SMILESCC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H17N3O5/c1-12(18(24)23-16-8-6-14(7-9-16)19(25)26)28-20(27)15-4-2-13(3-5-15)17-21-10-11-22-17/h2-12H,1H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyNJIKKPGGXGNVKO-UHFFFAOYSA-N
XLogP2.96
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23831769
(1-anilino-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate
CID 23916279
[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 25045892
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23999726
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23802999
[1-(4-chloroanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23972249
[1-(4-carbamoylanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23860488
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23887966
4-(1H-imidazol-2-yl)benzoic acid;hydrochloride
CID 68829715
(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
CID 95687743
[1-(3,5-dichloroanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23832049
[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23972095

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid?
The IUPAC name of 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid (CID 23943930) is 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid.
What is the SMILES notation for 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid?
The canonical SMILES for 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid is CC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid?
The InChIKey is NJIKKPGGXGNVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-12(18(24)23-16-8-6-14(7-9-16)19(25)26)28-20(27)15-4-2-13(3-5-15)17-21-10-11-22-17/h2-12H,1H3,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid?
4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid has a molecular weight of 379.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid is sourced from PubChem (CID 23943930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).