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

C12H12Cl2N2O2 — CID 82001351

IUPAC5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
SMILESO=C(O)CCCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C12H12Cl2N2O2/c13-7-5-9-10(6-8(7)14)16-11(15-9)3-1-2-4-12(17)18/h5-6H,1-4H2,(H,15,16)(H,17,18)
InChIKeyUERFAIUNWLOLRB-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.67
Rot. Bonds5

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

5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid (PubChem CID 82001351) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
PubChem CID82001351
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
SMILESO=C(O)CCCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C12H12Cl2N2O2/c13-7-5-9-10(6-8(7)14)16-11(15-9)3-1-2-4-12(17)18/h5-6H,1-4H2,(H,15,16)(H,17,18)
InChIKeyUERFAIUNWLOLRB-UHFFFAOYSA-N
XLogP3.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid?
The IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid (CID 82001351) is 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid.
What is the SMILES notation for 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid?
The canonical SMILES for 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid is O=C(O)CCCCc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid?
The InChIKey is UERFAIUNWLOLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-7-5-9-10(6-8(7)14)16-11(15-9)3-1-2-4-12(17)18/h5-6H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid?
5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid has a molecular weight of 287.15 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid is sourced from PubChem (CID 82001351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).