methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate

C10H10N2O4 — CID 68898669

IUPACmethyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate
SMILESCOC(=O)Oc1cc(C)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O4/c1-5-3-6(16-10(14)15-2)4-7-8(5)12-9(13)11-7/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyQMQUZEJFEDQWCU-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.31
Rot. Bonds1

About methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate

methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate (PubChem CID 68898669) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate.

Molecular Properties

Compound Namemethyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate
PubChem CID68898669
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate
SMILESCOC(=O)Oc1cc(C)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O4/c1-5-3-6(16-10(14)15-2)4-7-8(5)12-9(13)11-7/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyQMQUZEJFEDQWCU-UHFFFAOYSA-N
XLogP1.31
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096
methyl (3,4,5-trihydroxyphenyl) carbonate
CID 58789578
(3,5-diethylphenyl) methyl carbonate
CID 174729067
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
methyl (5-methyl-1H-pyrazol-3-yl) carbonate
CID 23224073
(6-butanoyl-7,8-dimethyl-4-oxo-1H-quinolin-2-yl) methyl carbonate
CID 70548925
methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate
CID 139026429
dimethyl 1-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)azepine-2,3-dicarboxylate
CID 168646538
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one
CID 11819366
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838

Frequently Asked Questions

What is the IUPAC name of methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate?
The IUPAC name of methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate (CID 68898669) is methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate.
What is the SMILES notation for methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate?
The canonical SMILES for methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate is COC(=O)Oc1cc(C)c2[nH]c(=O)[nH]c2c1.
What is the InChIKey of methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate?
The InChIKey is QMQUZEJFEDQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-5-3-6(16-10(14)15-2)4-7-8(5)12-9(13)11-7/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate?
methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate has a molecular weight of 222.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl) carbonate is sourced from PubChem (CID 68898669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).