2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid

C11H14N2O2S — CID 69466679

IUPAC2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
SMILESCCSC1(CC(=O)O)Nc2ccccc2N1
InChIInChI=1S/C11H14N2O2S/c1-2-16-11(7-10(14)15)12-8-5-3-4-6-9(8)13-11/h3-6,12-13H,2,7H2,1H3,(H,14,15)
InChIKeyMUZBGMLKAGJWTR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.41
Rot. Bonds4

About 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid

2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid (PubChem CID 69466679) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
PubChem CID69466679
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
SMILESCCSC1(CC(=O)O)Nc2ccccc2N1
InChIInChI=1S/C11H14N2O2S/c1-2-16-11(7-10(14)15)12-8-5-3-4-6-9(8)13-11/h3-6,12-13H,2,7H2,1H3,(H,14,15)
InChIKeyMUZBGMLKAGJWTR-UHFFFAOYSA-N
XLogP2.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-octylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
CID 69466960
2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
CID 69467238
2-[2-[2-(3-methylphenoxy)ethylsulfanyl]-1,3-dihydrobenzimidazol-2-yl]acetic acid
CID 69467894
2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1,3-dihydrobenzimidazol-2-yl]acetic acid
CID 69465091
2-[2-[3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylsulfanyl]-1,3-dihydrobenzimidazol-2-yl]acetic acid
CID 69466472
2-[2-[3-[benzyl(3,3-diphenylpropanoyl)amino]propylsulfanyl]-1,3-dihydrobenzimidazol-2-yl]acetic acid
CID 69464896
2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid
CID 20766235
2-[2-[3-(N-(2,2-diphenylacetyl)-4-piperidin-1-ylanilino)propylsulfanyl]-1,3-dihydrobenzimidazol-2-yl]acetic acid
CID 69467716
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
carbonic acid;1,2-diethylbenzene
CID 89388803
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 68790453

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid (CID 69466679) is 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid is CCSC1(CC(=O)O)Nc2ccccc2N1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
The InChIKey is MUZBGMLKAGJWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-16-11(7-10(14)15)12-8-5-3-4-6-9(8)13-11/h3-6,12-13H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid has a molecular weight of 238.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 69466679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).