2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid

C14H16ClN3O2 — CID 84743858

IUPAC2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1nc(-c2ccccc2)n(C)c1Cl
InChIInChI=1S/C14H16ClN3O2/c1-17(2)11(14(19)20)10-12(15)18(3)13(16-10)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,19,20)
InChIKeyWXDFPIPZXFGCRP-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.43
Rot. Bonds4

About 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid

2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid (PubChem CID 84743858) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid
PubChem CID84743858
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1nc(-c2ccccc2)n(C)c1Cl
InChIInChI=1S/C14H16ClN3O2/c1-17(2)11(14(19)20)10-12(15)18(3)13(16-10)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,19,20)
InChIKeyWXDFPIPZXFGCRP-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid?
The IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid (CID 84743858) is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid.
What is the SMILES notation for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid?
The canonical SMILES for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid is CN(C)C(C(=O)O)c1nc(-c2ccccc2)n(C)c1Cl.
What is the InChIKey of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid?
The InChIKey is WXDFPIPZXFGCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-17(2)11(14(19)20)10-12(15)18(3)13(16-10)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,19,20).
What are the key properties of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid?
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid has a molecular weight of 293.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid is sourced from PubChem (CID 84743858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).