4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid

C11H10Cl2N2O2 — CID 82001975

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H10Cl2N2O2/c12-6-4-8-9(5-7(6)13)15-10(14-8)2-1-3-11(16)17/h4-5H,1-3H2,(H,14,15)(H,16,17)
InChIKeyAGBOLPZZECYFFU-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.28
Rot. Bonds4

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid

4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid (PubChem CID 82001975) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
PubChem CID82001975
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H10Cl2N2O2/c12-6-4-8-9(5-7(6)13)15-10(14-8)2-1-3-11(16)17/h4-5H,1-3H2,(H,14,15)(H,16,17)
InChIKeyAGBOLPZZECYFFU-UHFFFAOYSA-N
XLogP3.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid (CID 82001975) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid is O=C(O)CCCc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid?
The InChIKey is AGBOLPZZECYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-6-4-8-9(5-7(6)13)15-10(14-8)2-1-3-11(16)17/h4-5H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid?
4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid has a molecular weight of 273.12 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 82001975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).