2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid

C14H18ClN3O2 — CID 82311050

IUPAC2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid
SMILESCC(c1nc2cc(Cl)ccc2n1C(C)C(=O)O)N(C)C
InChIInChI=1S/C14H18ClN3O2/c1-8(17(3)4)13-16-11-7-10(15)5-6-12(11)18(13)9(2)14(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyMVEUAQOUSRWQGX-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.96
Rot. Bonds4

About 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid

2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid (PubChem CID 82311050) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid
PubChem CID82311050
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid
SMILESCC(c1nc2cc(Cl)ccc2n1C(C)C(=O)O)N(C)C
InChIInChI=1S/C14H18ClN3O2/c1-8(17(3)4)13-16-11-7-10(15)5-6-12(11)18(13)9(2)14(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyMVEUAQOUSRWQGX-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic 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-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid (CID 82311050) is 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid is CC(c1nc2cc(Cl)ccc2n1C(C)C(=O)O)N(C)C.
What is the InChIKey of 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid?
The InChIKey is MVEUAQOUSRWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8(17(3)4)13-16-11-7-10(15)5-6-12(11)18(13)9(2)14(19)20/h5-9H,1-4H3,(H,19,20).
What are the key properties of 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid?
2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82311050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).