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

C11H8Cl2N2O2 — CID 82001126

IUPAC2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c12-6-2-8-9(3-7(6)13)15-10(14-8)4-1-5(4)11(16)17/h2-5H,1H2,(H,14,15)(H,16,17)
InChIKeyOYQTXKKBCAVYDE-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.06
Rot. Bonds2

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

2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 82001126) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID82001126
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c12-6-2-8-9(3-7(6)13)15-10(14-8)4-1-5(4)11(16)17/h2-5H,1H2,(H,14,15)(H,16,17)
InChIKeyOYQTXKKBCAVYDE-UHFFFAOYSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid (CID 82001126) is 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is OYQTXKKBCAVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-6-2-8-9(3-7(6)13)15-10(14-8)4-1-5(4)11(16)17/h2-5H,1H2,(H,14,15)(H,16,17).
What are the key properties of 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 271.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82001126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).