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

C14H18N2O2S — CID 69467238

IUPAC2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
SMILESO=C(O)CC1(SC2CCCC2)Nc2ccccc2N1
InChIInChI=1S/C14H18N2O2S/c17-13(18)9-14(19-10-5-1-2-6-10)15-11-7-3-4-8-12(11)16-14/h3-4,7-8,10,15-16H,1-2,5-6,9H2,(H,17,18)
InChIKeyPHXRVOTZACMKFT-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.33
Rot. Bonds4

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

2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid (PubChem CID 69467238) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
PubChem CID69467238
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
SMILESO=C(O)CC1(SC2CCCC2)Nc2ccccc2N1
InChIInChI=1S/C14H18N2O2S/c17-13(18)9-14(19-10-5-1-2-6-10)15-11-7-3-4-8-12(11)16-14/h3-4,7-8,10,15-16H,1-2,5-6,9H2,(H,17,18)
InChIKeyPHXRVOTZACMKFT-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid (CID 69467238) is 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid is O=C(O)CC1(SC2CCCC2)Nc2ccccc2N1.
What is the InChIKey of 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
The InChIKey is PHXRVOTZACMKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(18)9-14(19-10-5-1-2-6-10)15-11-7-3-4-8-12(11)16-14/h3-4,7-8,10,15-16H,1-2,5-6,9H2,(H,17,18).
What are the key properties of 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid?
2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid has a molecular weight of 278.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 69467238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).