tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate

C15H18N2O4 — CID 129052197

IUPACtert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
SMILESCOC(=O)Cc1nc2ccccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-14(19)17-11-8-6-5-7-10(11)16-12(17)9-13(18)20-4/h5-8H,9H2,1-4H3
InChIKeyMBTLUTCQFSOHER-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate

tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate (PubChem CID 129052197) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
PubChem CID129052197
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nametert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
SMILESCOC(=O)Cc1nc2ccccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-14(19)17-11-8-6-5-7-10(11)16-12(17)9-13(18)20-4/h5-8H,9H2,1-4H3
InChIKeyMBTLUTCQFSOHER-UHFFFAOYSA-N
XLogP2.54
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-(methylaminomethyl)benzimidazole-1-carboxylate
CID 22181895
tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]methyl]amino]methyl]benzimidazole-1-carboxylate
CID 54543014
tert-butyl 2-[2-(methylamino)-2-phenylethyl]benzimidazole-1-carboxylate
CID 82038432
tert-butyl 2-[3-[(3-ethoxy-3-oxopropyl)amino]-3-oxopropyl]benzimidazole-1-carboxylate
CID 70820607
methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate
CID 171714486
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
CID 79475042
tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 118368388
tert-butyl 2-[[4-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]methyl]benzimidazole-1-carboxylate
CID 134465949
tert-butyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 110885675
2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate
CID 67187186
tert-butyl 2-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]benzimidazole-1-carboxylate
CID 129269306
methyl 2-[10-(2-methoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 1480887

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate (CID 129052197) is tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate is COC(=O)Cc1nc2ccccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate?
The InChIKey is MBTLUTCQFSOHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,3)21-14(19)17-11-8-6-5-7-10(11)16-12(17)9-13(18)20-4/h5-8H,9H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate?
tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate is sourced from PubChem (CID 129052197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).