2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid

C20H20ClN3O2 — CID 21256211

IUPAC2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid
SMILESCN(C)c1ccccc1-c1nc(Cl)c(CC(=O)O)n1Cc1ccccc1
InChIInChI=1S/C20H20ClN3O2/c1-23(2)16-11-7-6-10-15(16)20-22-19(21)17(12-18(25)26)24(20)13-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,25,26)
InChIKeyYPQAZLKWBCJJLI-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.94
Rot. Bonds6

About 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid

2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid (PubChem CID 21256211) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid
PubChem CID21256211
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid
SMILESCN(C)c1ccccc1-c1nc(Cl)c(CC(=O)O)n1Cc1ccccc1
InChIInChI=1S/C20H20ClN3O2/c1-23(2)16-11-7-6-10-15(16)20-22-19(21)17(12-18(25)26)24(20)13-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,25,26)
InChIKeyYPQAZLKWBCJJLI-UHFFFAOYSA-N
XLogP3.94
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Butyl-5-chloro-3-{4-[2-(2,5-dimethyl-pyrrol-1-yl)-3-phenyl-propionylamino]-benzyl}-3H-imidazol-4-yl)-acetic acid
CID 44294023
2-Butyl-4-chloro-1-(2-nitrobenzyl)imidazole-5-acetic acid
CID 196749
[2-Butyl-5-chloro-3-(2-chloro-benzyl)-3H-imidazol-4-yl]-acetic acid
CID 3082918
[2-Butyl-3-(2-chloro-benzyl)-3H-imidazol-4-yl]-acetic acid
CID 15696755
3-[1-(4-Chloro-benzyl)-5-fluoro-1H-benzoimidazol-2-yl]-propionic acid
CID 14953076
3-[1-(4-Chloro-benzyl)-5-fluoro-1H-benzoimidazol-2-yl]-2,2-dimethyl-propionic acid
CID 14953077
3-[1-[3-(2-Methylanilino)-3-oxopropyl]benzimidazol-2-yl]propanoic acid
CID 155533153
2-(3-Benzyl-2-butyl-5-chloroimidazol-4-yl)acetic acid
CID 12822144
Methyl 2-butyl-4-chloro-1-(4-nitrobenzyl)imidazole-5-acetate
CID 15159734
Methyl 1-(4-aminobenzyl)-2-butyl-4-chloroimidazole-5-acetate
CID 15356445
Methyl 1-[4-(N-benzylamino)-benzyl]-2-butyl-4-chloroimidazole-5-acetate
CID 19815423
1H-Benzimidazole-1-propanoic acid, 5-chloro-beta-methyl-2-((4-methylphenyl)methyl)-
CID 3072206

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid?
The IUPAC name of 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid (CID 21256211) is 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid is CN(C)c1ccccc1-c1nc(Cl)c(CC(=O)O)n1Cc1ccccc1.
What is the InChIKey of 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid?
The InChIKey is YPQAZLKWBCJJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-23(2)16-11-7-6-10-15(16)20-22-19(21)17(12-18(25)26)24(20)13-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid?
2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid has a molecular weight of 369.85 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid is sourced from PubChem (CID 21256211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).