methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate

C16H20N2O4 — CID 164884368

IUPACmethyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1nc(C)n2CC(=O)OC(C)(C)C
InChIInChI=1S/C16H20N2O4/c1-10-17-14-11(15(20)21-5)7-6-8-12(14)18(10)9-13(19)22-16(2,3)4/h6-8H,9H2,1-5H3
InChIKeyRYCPPXTWUFIIMK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.47
Rot. Bonds3

About methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate

methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate (PubChem CID 164884368) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate
PubChem CID164884368
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1nc(C)n2CC(=O)OC(C)(C)C
InChIInChI=1S/C16H20N2O4/c1-10-17-14-11(15(20)21-5)7-6-8-12(14)18(10)9-13(19)22-16(2,3)4/h6-8H,9H2,1-5H3
InChIKeyRYCPPXTWUFIIMK-UHFFFAOYSA-N
XLogP2.47
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxycarbonyl-2-methylbenzimidazol-1-yl)acetic acid
CID 166152409
methyl 1-[2-(3-hydroxypropoxy)ethyl]-2-methylbenzimidazole-4-carboxylate
CID 166152410
2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid
CID 115542843
methyl 2-methyl-1-[2-(3-methylsulfonyloxypropoxy)ethyl]benzimidazole-4-carboxylate
CID 171108079
methyl 3-(1-hydroxyethyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-4-carboxylate
CID 170073915
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 70326272
methyl 1,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzimidazole-4-carboxylate
CID 166152004
methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate
CID 57425151
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
tert-butyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 110885675
ethyl 2-methyl-1-[[4-(2-phenylethenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 140992483
3-O-tert-butyl 1-O-methyl 2-hydroxybenzene-1,3-dicarboxylate
CID 174913311

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate (CID 164884368) is methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate is COC(=O)c1cccc2c1nc(C)n2CC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate?
The InChIKey is RYCPPXTWUFIIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10-17-14-11(15(20)21-5)7-6-8-12(14)18(10)9-13(19)22-16(2,3)4/h6-8H,9H2,1-5H3.
What are the key properties of methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate?
methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate is sourced from PubChem (CID 164884368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).