2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid

C11H10Cl2N2O2S — CID 82004596

IUPAC2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid
SMILESCSCc1nc2cc(Cl)c(Cl)cc2n1CC(=O)O
InChIInChI=1S/C11H10Cl2N2O2S/c1-18-5-10-14-8-2-6(12)7(13)3-9(8)15(10)4-11(16)17/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyOTDIHHYOKNVVJQ-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.29
Rot. Bonds4

About 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid

2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid (PubChem CID 82004596) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid
PubChem CID82004596
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid
SMILESCSCc1nc2cc(Cl)c(Cl)cc2n1CC(=O)O
InChIInChI=1S/C11H10Cl2N2O2S/c1-18-5-10-14-8-2-6(12)7(13)3-9(8)15(10)4-11(16)17/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyOTDIHHYOKNVVJQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5,6-dichloro-2-(2-propoxyethyl)benzimidazol-1-yl]acetic acid
CID 82005605
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82003895
2-[2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichlorobenzimidazol-1-yl]acetic acid
CID 82005743
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62335822
2-[5,6-dichloro-2-(5-iodothiophen-3-yl)benzimidazol-1-yl]acetic acid
CID 82005738
2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid
CID 90098433
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 55159468
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid (CID 82004596) is 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid is CSCc1nc2cc(Cl)c(Cl)cc2n1CC(=O)O.
What is the InChIKey of 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid?
The InChIKey is OTDIHHYOKNVVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c1-18-5-10-14-8-2-6(12)7(13)3-9(8)15(10)4-11(16)17/h2-3H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid?
2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid has a molecular weight of 305.19 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 82004596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).