2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid

C12H14N2O2S — CID 2772432

IUPAC2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
SMILESCCCSc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C12H14N2O2S/c1-2-7-17-12-13-9-5-3-4-6-10(9)14(12)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyMDNUAWLMWHDNGD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.62
Rot. Bonds5

About 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid

2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid (PubChem CID 2772432) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
PubChem CID2772432
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
SMILESCCCSc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C12H14N2O2S/c1-2-7-17-12-13-9-5-3-4-6-10(9)14(12)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyMDNUAWLMWHDNGD-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butylsulfanylbenzimidazol-1-yl)acetic acid
CID 2772433
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
2-[2-[3-(benzylamino)propylsulfanyl]benzimidazol-1-yl]acetic acid
CID 69315494
3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide
CID 134824089
2-[2-[5-[benzyl(methyl)amino]-5-oxopentyl]sulfanylbenzimidazol-1-yl]acetic acid
CID 69319311
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
2-[2-[3-(3,3-diphenylpropanoylamino)propylsulfanyl]benzimidazol-1-yl]acetic acid
CID 11583693
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-[3-[butoxycarbonyl(cyclohexyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid
CID 11676713
2-[2-[(3-bromophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 70688381
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-[2-[3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylsulfanyl]benzimidazol-1-yl]acetic acid
CID 69319278

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid (CID 2772432) is 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid is CCCSc1nc2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid?
The InChIKey is MDNUAWLMWHDNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-7-17-12-13-9-5-3-4-6-10(9)14(12)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid?
2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid has a molecular weight of 250.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 2772432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).