3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one

C10H12N2O3 — CID 95561994

IUPAC3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C[C@H](O)CO
InChIInChI=1S/C10H12N2O3/c13-6-7(14)5-12-9-4-2-1-3-8(9)11-10(12)15/h1-4,7,13-14H,5-6H2,(H,11,15)/t7-/m0/s1
InChIKeySRPPCGGWWSCKMP-ZETCQYMHSA-N
MW208.22 g/mol
LogP-0.32
Rot. Bonds3

About 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one

3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one (PubChem CID 95561994) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one
PubChem CID95561994
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C[C@H](O)CO
InChIInChI=1S/C10H12N2O3/c13-6-7(14)5-12-9-4-2-1-3-8(9)11-10(12)15/h1-4,7,13-14H,5-6H2,(H,11,15)/t7-/m0/s1
InChIKeySRPPCGGWWSCKMP-ZETCQYMHSA-N
XLogP-0.32
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one (CID 95561994) is 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C[C@H](O)CO.
What is the InChIKey of 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one?
The InChIKey is SRPPCGGWWSCKMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-6-7(14)5-12-9-4-2-1-3-8(9)11-10(12)15/h1-4,7,13-14H,5-6H2,(H,11,15)/t7-/m0/s1.
What are the key properties of 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one?
3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 95561994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).