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

C12H12Cl2N2O3 — CID 82003895

IUPAC3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
SMILESCOCc1nc2cc(Cl)c(Cl)cc2n1CCC(=O)O
InChIInChI=1S/C12H12Cl2N2O3/c1-19-6-11-15-9-4-7(13)8(14)5-10(9)16(11)3-2-12(17)18/h4-5H,2-3,6H2,1H3,(H,17,18)
InChIKeyQJEKSXURFQPANV-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.96
Rot. Bonds5

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

3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid (PubChem CID 82003895) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
PubChem CID82003895
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
SMILESCOCc1nc2cc(Cl)c(Cl)cc2n1CCC(=O)O
InChIInChI=1S/C12H12Cl2N2O3/c1-19-6-11-15-9-4-7(13)8(14)5-10(9)16(11)3-2-12(17)18/h4-5H,2-3,6H2,1H3,(H,17,18)
InChIKeyQJEKSXURFQPANV-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5,6-dimethoxy-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 61365700
2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
CID 82146026
3-[5,6-difluoro-2-(2-methoxyethyl)benzimidazol-1-yl]propanoic acid
CID 62805309
3-[5,6-dichloro-2-(3-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid
CID 82005761
3-[5,6-dichloro-2-(2,2-dimethylcyclopropyl)benzimidazol-1-yl]propanoic acid
CID 107002140
3-[5,6-dimethyl-2-(propan-2-yloxymethyl)benzimidazol-1-yl]propanoic acid
CID 115949439
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
3-[5,6-dichloro-2-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanoic acid
CID 82005765
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide
CID 82150228
2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid
CID 82004596
3-[5,6-dichloro-2-(thiadiazol-5-yl)benzimidazol-1-yl]propanoic acid
CID 82005897

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid (CID 82003895) is 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid is COCc1nc2cc(Cl)c(Cl)cc2n1CCC(=O)O.
What is the InChIKey of 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is QJEKSXURFQPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-19-6-11-15-9-4-7(13)8(14)5-10(9)16(11)3-2-12(17)18/h4-5H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid?
3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 303.15 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82003895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).