2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid

C16H18N2O2S — CID 61482773

IUPAC2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C(C1CC1)C1CC1
InChIInChI=1S/C16H18N2O2S/c19-14(20)9-21-16-17-12-3-1-2-4-13(12)18(16)15(10-5-6-10)11-7-8-11/h1-4,10-11,15H,5-9H2,(H,19,20)
InChIKeyGKMHGXQXCDPEPU-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.57
Rot. Bonds6

About 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid

2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid (PubChem CID 61482773) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid
PubChem CID61482773
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C(C1CC1)C1CC1
InChIInChI=1S/C16H18N2O2S/c19-14(20)9-21-16-17-12-3-1-2-4-13(12)18(16)15(10-5-6-10)11-7-8-11/h1-4,10-11,15H,5-9H2,(H,19,20)
InChIKeyGKMHGXQXCDPEPU-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,3-dimethylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 104828968
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 113475637
2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid
CID 43661385
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one
CID 20770417
2-[4-chloro-1-(1-cyclopropylethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 104836698
1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 33245612
2-[1-(2-methylsulfanylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 113466694
N-(dicyclopropylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 30906594

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid (CID 61482773) is 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2ccccc2n1C(C1CC1)C1CC1.
What is the InChIKey of 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
The InChIKey is GKMHGXQXCDPEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-14(20)9-21-16-17-12-3-1-2-4-13(12)18(16)15(10-5-6-10)11-7-8-11/h1-4,10-11,15H,5-9H2,(H,19,20).
What are the key properties of 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid has a molecular weight of 302.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 61482773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).