2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid

C15H14Cl2N2O2 — CID 82005743

IUPAC2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C2CC3CC3C2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H14Cl2N2O2/c16-10-4-12-13(5-11(10)17)19(6-14(20)21)15(18-12)9-2-7-1-8(7)3-9/h4-5,7-9H,1-3,6H2,(H,20,21)
InChIKeyFATHAPTVORVQIF-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.94
Rot. Bonds3

About 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid

2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid (PubChem CID 82005743) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid
PubChem CID82005743
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C2CC3CC3C2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H14Cl2N2O2/c16-10-4-12-13(5-11(10)17)19(6-14(20)21)15(18-12)9-2-7-1-8(7)3-9/h4-5,7-9H,1-3,6H2,(H,20,21)
InChIKeyFATHAPTVORVQIF-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid (CID 82005743) is 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid is O=C(O)Cn1c(C2CC3CC3C2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid?
The InChIKey is FATHAPTVORVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-10-4-12-13(5-11(10)17)19(6-14(20)21)15(18-12)9-2-7-1-8(7)3-9/h4-5,7-9H,1-3,6H2,(H,20,21).
What are the key properties of 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid?
2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid has a molecular weight of 325.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 82005743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).