(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol

C14H14N2O — CID 95654617

IUPAC(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol
SMILESO[C@H]1Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C14H14N2O/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9,14-15,17H,10H2/t14-/m0/s1
InChIKeySZDBYVPXRAGFKP-AWEZNQCLSA-N
MW226.28 g/mol
LogP2.39
Rot. Bonds2

About (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol

(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol (PubChem CID 95654617) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol.

Molecular Properties

Compound Name(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol
PubChem CID95654617
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol
SMILESO[C@H]1Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C14H14N2O/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9,14-15,17H,10H2/t14-/m0/s1
InChIKeySZDBYVPXRAGFKP-AWEZNQCLSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86593353
3-(2-chloropyrimidin-4-yl)-1,2-dihydrobenzimidazol-2-ol
CID 166764047
(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
CID 155164341
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
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CID 114337756
(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
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2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodec-1(7)-ene
CID 142760875
3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol
CID 174006603
(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol?
The IUPAC name of (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol (CID 95654617) is (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol.
What is the SMILES notation for (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol?
The canonical SMILES for (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol is O[C@H]1Nc2ccccc2N1Cc1ccccc1.
What is the InChIKey of (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol?
The InChIKey is SZDBYVPXRAGFKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9,14-15,17H,10H2/t14-/m0/s1.
What are the key properties of (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol?
(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol has a molecular weight of 226.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol is sourced from PubChem (CID 95654617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).