4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one

C12H14N2O3 — CID 163470938

IUPAC4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OC[C@@H]3CCCO3)c2[nH]1
InChIInChI=1S/C12H14N2O3/c15-12-13-9-4-1-5-10(11(9)14-12)17-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H2,13,14,15)/t8-/m0/s1
InChIKeyBWMJHAHZYPEZEG-QMMMGPOBSA-N
MW234.25 g/mol
LogP1.41
Rot. Bonds3

About 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one

4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 163470938) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID163470938
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OC[C@@H]3CCCO3)c2[nH]1
InChIInChI=1S/C12H14N2O3/c15-12-13-9-4-1-5-10(11(9)14-12)17-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H2,13,14,15)/t8-/m0/s1
InChIKeyBWMJHAHZYPEZEG-QMMMGPOBSA-N
XLogP1.41
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
2-amino-3-(oxan-2-ylmethoxy)phenol
CID 114764427
4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074354
3-methyl-1-[2-(oxolan-2-ylmethoxy)phenyl]-2,5,6,7-tetrahydroisoindol-4-one
CID 71811999
2-nitro-6-[[(2R)-oxolan-2-yl]methoxy]benzonitrile
CID 124561898
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-(oxolan-2-ylmethoxy)-9H-carbazole
CID 156775567
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one
CID 59332093

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one (CID 163470938) is 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(OC[C@@H]3CCCO3)c2[nH]1.
What is the InChIKey of 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BWMJHAHZYPEZEG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-12-13-9-4-1-5-10(11(9)14-12)17-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H2,13,14,15)/t8-/m0/s1.
What are the key properties of 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one?
4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 163470938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).