3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid

C18H15ClN2O2 — CID 82560021

IUPAC3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(Cn2ccnc2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-16-7-2-1-5-14(16)11-17-20-8-9-21(17)12-13-4-3-6-15(10-13)18(22)23/h1-10H,11-12H2,(H,22,23)
InChIKeyZNPAEQWVVGNVCP-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.87
Rot. Bonds5

About 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid

3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid (PubChem CID 82560021) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid
PubChem CID82560021
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(Cn2ccnc2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-16-7-2-1-5-14(16)11-17-20-8-9-21(17)12-13-4-3-6-15(10-13)18(22)23/h1-10H,11-12H2,(H,22,23)
InChIKeyZNPAEQWVVGNVCP-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560019
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzoic acid
CID 82559941
2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145233
3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
methyl 3-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560942
3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18680874
3-[[2-(4-nitrophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560637
3-[[2-[3-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]methyl]benzoic acid
CID 70758433
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid (CID 82560021) is 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid is O=C(O)c1cccc(Cn2ccnc2Cc2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
The InChIKey is ZNPAEQWVVGNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-16-7-2-1-5-14(16)11-17-20-8-9-21(17)12-13-4-3-6-15(10-13)18(22)23/h1-10H,11-12H2,(H,22,23).
What are the key properties of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid has a molecular weight of 326.78 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82560021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).