2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid

C18H16ClN3O2 — CID 13075860

IUPAC2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
SMILESNc1ccccc1-c1nc(Cl)c(CC(=O)O)n1Cc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c19-17-15(10-16(23)24)22(11-12-6-2-1-3-7-12)18(21-17)13-8-4-5-9-14(13)20/h1-9H,10-11,20H2,(H,23,24)
InChIKeyRMJICCZGLVSASD-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.46
Rot. Bonds5

About 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid

2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid (PubChem CID 13075860) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
PubChem CID13075860
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
SMILESNc1ccccc1-c1nc(Cl)c(CC(=O)O)n1Cc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c19-17-15(10-16(23)24)22(11-12-6-2-1-3-7-12)18(21-17)13-8-4-5-9-14(13)20/h1-9H,10-11,20H2,(H,23,24)
InChIKeyRMJICCZGLVSASD-UHFFFAOYSA-N
XLogP3.46
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-benzyl-5-chloro-2-(2-hydroxyphenyl)imidazol-4-yl]acetic acid
CID 136888510
2-[2-(4-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075859
2-[3-benzyl-5-chloro-2-[2-(dimethylamino)phenyl]imidazol-4-yl]acetic acid
CID 21256211
2-[3-benzyl-5-chloro-2-(2-nitrophenyl)imidazol-4-yl]acetic acid
CID 12822133
2-[5-chloro-3-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)imidazol-4-yl]acetic acid
CID 139725987
2-[5-chloro-3-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)imidazol-4-yl]acetic acid
CID 139725984
2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 135929042
2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
CID 15099388
[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
CID 15099345
2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile
CID 98009878
2-[2-butyl-5-chloro-3-[[4-(3-phenylpropanoylamino)phenyl]methyl]imidazol-4-yl]acetic acid
CID 15356437
2-[3-benzyl-5-chloro-2-(4-fluorophenyl)imidazol-4-yl]acetonitrile
CID 139725996

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid (CID 13075860) is 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid is Nc1ccccc1-c1nc(Cl)c(CC(=O)O)n1Cc1ccccc1.
What is the InChIKey of 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid?
The InChIKey is RMJICCZGLVSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-17-15(10-16(23)24)22(11-12-6-2-1-3-7-12)18(21-17)13-8-4-5-9-14(13)20/h1-9H,10-11,20H2,(H,23,24).
What are the key properties of 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid?
2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid has a molecular weight of 341.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid is sourced from PubChem (CID 13075860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).