4-(1H-imidazol-5-yl)benzoic acid

C10H8N2O2 — CID 18617688

IUPAC4-(1H-imidazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)(H,13,14)
InChIKeyAKDWVSRIPFDSCD-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.77
Rot. Bonds2

About 4-(1H-imidazol-5-yl)benzoic acid

4-(1H-imidazol-5-yl)benzoic acid (PubChem CID 18617688) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)benzoic acid
PubChem CID18617688
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-(1H-imidazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)(H,13,14)
InChIKeyAKDWVSRIPFDSCD-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromoacetyl)benzoic acid;formamide;4-(1H-imidazol-5-yl)benzoic acid
CID 159894675
benzyl 4-(1H-imidazol-5-yl)benzoate
CID 143490963
2-[N-(carboxymethyl)-4-(1H-imidazol-5-yl)anilino]acetic acid
CID 20818432
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
5-phenyl-1H-imidazole;trifluoromethanesulfonic acid
CID 23116833
N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide
CID 141106162
4-[4-(1H-imidazol-5-yl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302307
N-ethyl-4-(1H-imidazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 127266606
1-[3-(1H-imidazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58252487
4-[(E)-2-(1H-imidazol-5-yl)ethenyl]benzoic acid
CID 58256819
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole
CID 122429492

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)benzoic acid?
The IUPAC name of 4-(1H-imidazol-5-yl)benzoic acid (CID 18617688) is 4-(1H-imidazol-5-yl)benzoic acid.
What is the SMILES notation for 4-(1H-imidazol-5-yl)benzoic acid?
The canonical SMILES for 4-(1H-imidazol-5-yl)benzoic acid is O=C(O)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)benzoic acid?
The InChIKey is AKDWVSRIPFDSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)(H,13,14).
What are the key properties of 4-(1H-imidazol-5-yl)benzoic acid?
4-(1H-imidazol-5-yl)benzoic acid has a molecular weight of 188.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)benzoic acid is sourced from PubChem (CID 18617688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).