methyl 1,6-dimethylbenzimidazole-5-carboxylate

C11H12N2O2 — CID 121006340

IUPACmethyl 1,6-dimethylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2ncn(C)c2cc1C
InChIInChI=1S/C11H12N2O2/c1-7-4-10-9(12-6-13(10)2)5-8(7)11(14)15-3/h4-6H,1-3H3
InChIKeyFRIONYLYWAOROA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds1

About methyl 1,6-dimethylbenzimidazole-5-carboxylate

methyl 1,6-dimethylbenzimidazole-5-carboxylate (PubChem CID 121006340) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 1,6-dimethylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,6-dimethylbenzimidazole-5-carboxylate
PubChem CID121006340
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 1,6-dimethylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2ncn(C)c2cc1C
InChIInChI=1S/C11H12N2O2/c1-7-4-10-9(12-6-13(10)2)5-8(7)11(14)15-3/h4-6H,1-3H3
InChIKeyFRIONYLYWAOROA-UHFFFAOYSA-N
XLogP1.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-amino-1-methylbenzimidazole-5-carboxylate
CID 131279074
1-O-methyl 2-O-(1-methylbenzimidazol-5-yl) benzene-1,2-dicarboxylate
CID 90538186
6-chloro-1-methylbenzimidazole-5-carboxamide
CID 112756940
methyl 3H-benzimidazole-5-carboxylate;bis(methyl 3-methylbenzimidazole-5-carboxylate)
CID 158454175
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
methyl 3-iodo-5-methyl-2H-indazole-6-carboxylate
CID 123135201
1-methylbenzimidazol-5-ol;methyl 4-bromo-2-(1-methylbenzimidazol-5-yl)oxybenzoate
CID 67226310
1-methylbenzimidazole-5,6-diol;hydrobromide
CID 70571502
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
3-methylbenzimidazole-5-carboxamide
CID 21105052
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
5-(5-methoxycarbonyl-2,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117465698

Frequently Asked Questions

What is the IUPAC name of methyl 1,6-dimethylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1,6-dimethylbenzimidazole-5-carboxylate (CID 121006340) is methyl 1,6-dimethylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1,6-dimethylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1,6-dimethylbenzimidazole-5-carboxylate is COC(=O)c1cc2ncn(C)c2cc1C.
What is the InChIKey of methyl 1,6-dimethylbenzimidazole-5-carboxylate?
The InChIKey is FRIONYLYWAOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-10-9(12-6-13(10)2)5-8(7)11(14)15-3/h4-6H,1-3H3.
What are the key properties of methyl 1,6-dimethylbenzimidazole-5-carboxylate?
methyl 1,6-dimethylbenzimidazole-5-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,6-dimethylbenzimidazole-5-carboxylate is sourced from PubChem (CID 121006340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).