2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid

C14H15FN2O2S — CID 43661385

IUPAC2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid
SMILESCC(C1CC1)n1c(SCC(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C14H15FN2O2S/c1-8(9-2-3-9)17-12-5-4-10(15)6-11(12)16-14(17)20-7-13(18)19/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyCUOIBSGTOIPCMB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid

2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid (PubChem CID 43661385) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid
PubChem CID43661385
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid
SMILESCC(C1CC1)n1c(SCC(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C14H15FN2O2S/c1-8(9-2-3-9)17-12-5-4-10(15)6-11(12)16-14(17)20-7-13(18)19/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyCUOIBSGTOIPCMB-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
2-[5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661349
2-[4-chloro-1-(1-cyclopropylethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 104836698
2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 61482773
2-[1-[1-(dimethylamino)propan-2-yl]-6-fluorobenzimidazol-2-yl]sulfanylacetic acid
CID 82940270
2-(1-butan-2-yl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 43659654
2-[5-methyl-1-(3-methylpentan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 61463776
2-[1-[1-(dimethylamino)propan-2-yl]-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 82940267
2-[1-(1-cyclopropylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81337058
2-(6-fluoro-2-propan-2-ylquinazolin-4-yl)sulfanylacetic acid
CID 165499169
2-[6-fluoro-1-(3-methylpentan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106330052
2-[5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661278

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid (CID 43661385) is 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid is CC(C1CC1)n1c(SCC(=O)O)nc2cc(F)ccc21.
What is the InChIKey of 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid?
The InChIKey is CUOIBSGTOIPCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-8(9-2-3-9)17-12-5-4-10(15)6-11(12)16-14(17)20-7-13(18)19/h4-6,8-9H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid?
2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid has a molecular weight of 294.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 43661385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).