4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid

C19H14N2O5 — CID 175063625

IUPAC4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccccc2C(=O)OCn2ccnc2)cc1
InChIInChI=1S/C19H14N2O5/c22-17(13-5-7-14(8-6-13)18(23)24)15-3-1-2-4-16(15)19(25)26-12-21-10-9-20-11-21/h1-11H,12H2,(H,23,24)
InChIKeyZINBGNDTQKMEHX-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.63
Rot. Bonds6

About 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid

4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid (PubChem CID 175063625) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid
PubChem CID175063625
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccccc2C(=O)OCn2ccnc2)cc1
InChIInChI=1S/C19H14N2O5/c22-17(13-5-7-14(8-6-13)18(23)24)15-3-1-2-4-16(15)19(25)26-12-21-10-9-20-11-21/h1-11H,12H2,(H,23,24)
InChIKeyZINBGNDTQKMEHX-UHFFFAOYSA-N
XLogP2.63
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
benzoic acid;1-propylimidazole
CID 173073057
imidazol-1-ylmethyl 3-phenylpropanoate
CID 14596119
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
2-methylpropyl 2-benzoylbenzoate
CID 142743650
amino 2-benzoylbenzoate
CID 19737509
4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 18474516
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
(3-imidazol-1-yl-1-phenylpropyl) 4-aminobenzoate
CID 56837881

Frequently Asked Questions

What is the IUPAC name of 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid?
The IUPAC name of 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid (CID 175063625) is 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid.
What is the SMILES notation for 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid?
The canonical SMILES for 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid is O=C(O)c1ccc(C(=O)c2ccccc2C(=O)OCn2ccnc2)cc1.
What is the InChIKey of 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid?
The InChIKey is ZINBGNDTQKMEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-17(13-5-7-14(8-6-13)18(23)24)15-3-1-2-4-16(15)19(25)26-12-21-10-9-20-11-21/h1-11H,12H2,(H,23,24).
What are the key properties of 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid?
4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid has a molecular weight of 350.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid is sourced from PubChem (CID 175063625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).