methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate

C11H12N2O3 — CID 68793766

IUPACmethyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1c(C)c(OC)cc2[nH]cnc12
InChIInChI=1S/C11H12N2O3/c1-6-8(15-2)4-7-10(13-5-12-7)9(6)11(14)16-3/h4-5H,1-3H3,(H,12,13)
InChIKeyDJIIQYDWXNVLAZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.67
Rot. Bonds2

About methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate

methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate (PubChem CID 68793766) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate
PubChem CID68793766
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1c(C)c(OC)cc2[nH]cnc12
InChIInChI=1S/C11H12N2O3/c1-6-8(15-2)4-7-10(13-5-12-7)9(6)11(14)16-3/h4-5H,1-3H3,(H,12,13)
InChIKeyDJIIQYDWXNVLAZ-UHFFFAOYSA-N
XLogP1.67
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate (CID 68793766) is methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate is COC(=O)c1c(C)c(OC)cc2[nH]cnc12.
What is the InChIKey of methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate?
The InChIKey is DJIIQYDWXNVLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-8(15-2)4-7-10(13-5-12-7)9(6)11(14)16-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate?
methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 68793766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).