3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid

C10H8Cl2N2O2 — CID 13042082

IUPAC3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H8Cl2N2O2/c11-5-3-7-8(4-6(5)12)14-9(13-7)1-2-10(15)16/h3-4H,1-2H2,(H,13,14)(H,15,16)
InChIKeyLJPFVFTWPCXJNK-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.89
Rot. Bonds3

About 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid

3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid (PubChem CID 13042082) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
PubChem CID13042082
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H8Cl2N2O2/c11-5-3-7-8(4-6(5)12)14-9(13-7)1-2-10(15)16/h3-4H,1-2H2,(H,13,14)(H,15,16)
InChIKeyLJPFVFTWPCXJNK-UHFFFAOYSA-N
XLogP2.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(5,6-dichloro-1H-benzimidazol-2-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

Related Compounds

4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
CID 82001975
5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
CID 82001351
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
5-(5,6-difluoro-1H-benzimidazol-2-yl)pentanoic acid
CID 43470849
3-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 43114624
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
3-(4-chloro-6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629228
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
1-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]pyrrole-2,5-dione
CID 11846517
3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629227
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid (CID 13042082) is 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid is O=C(O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid?
The InChIKey is LJPFVFTWPCXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-5-3-7-8(4-6(5)12)14-9(13-7)1-2-10(15)16/h3-4H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid?
3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid has a molecular weight of 259.09 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 13042082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).