3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid

C15H16Cl2N2O2 — CID 107002140

IUPAC3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid
SMILESCC1(C)CC1c1nc2cc(Cl)c(Cl)cc2n1CCC(=O)O
InChIInChI=1S/C15H16Cl2N2O2/c1-15(2)7-8(15)14-18-11-5-9(16)10(17)6-12(11)19(14)4-3-13(20)21/h5-6,8H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyFJPLRDIEPISZID-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.33
Rot. Bonds4

About 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid

3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid (PubChem CID 107002140) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid
PubChem CID107002140
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid
SMILESCC1(C)CC1c1nc2cc(Cl)c(Cl)cc2n1CCC(=O)O
InChIInChI=1S/C15H16Cl2N2O2/c1-15(2)7-8(15)14-18-11-5-9(16)10(17)6-12(11)19(14)4-3-13(20)21/h5-6,8H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyFJPLRDIEPISZID-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid (CID 107002140) is 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid is CC1(C)CC1c1nc2cc(Cl)c(Cl)cc2n1CCC(=O)O.
What is the InChIKey of 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is FJPLRDIEPISZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-15(2)7-8(15)14-18-11-5-9(16)10(17)6-12(11)19(14)4-3-13(20)21/h5-6,8H,3-4,7H2,1-2H3,(H,20,21).
What are the key properties of 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid?
3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 327.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 107002140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).