3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one

C16H22N2O3 — CID 59332093

IUPAC3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(C)c2c(OC[C@H]3CCCO3)cccc21
InChIInChI=1S/C16H22N2O3/c1-11(2)18-13-7-4-8-14(15(13)17(3)16(18)19)21-10-12-6-5-9-20-12/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyULQIJBANQOKZOE-GFCCVEGCSA-N
MW290.36 g/mol
LogP2.48
Rot. Bonds4

About 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one

3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one (PubChem CID 59332093) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one
PubChem CID59332093
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(C)c2c(OC[C@H]3CCCO3)cccc21
InChIInChI=1S/C16H22N2O3/c1-11(2)18-13-7-4-8-14(15(13)17(3)16(18)19)21-10-12-6-5-9-20-12/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyULQIJBANQOKZOE-GFCCVEGCSA-N
XLogP2.48
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-oxo-4-[[(2R)-oxolan-2-yl]methoxy]benzimidazole-1-carbothioamide
CID 143756872
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one
CID 163470938
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
2-[3-methyl-2-oxo-4-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332029
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-methylsulfanyl-6-(oxan-2-ylmethoxy)benzoic acid
CID 113386241
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one (CID 59332093) is 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one is CC(C)n1c(=O)n(C)c2c(OC[C@H]3CCCO3)cccc21.
What is the InChIKey of 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one?
The InChIKey is ULQIJBANQOKZOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18-13-7-4-8-14(15(13)17(3)16(18)19)21-10-12-6-5-9-20-12/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one?
3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(2R)-oxolan-2-yl]methoxy]-1-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 59332093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).