methyl 1,2-diethylbenzimidazole-5-carboxylate

C13H16N2O2 — CID 167201887

IUPACmethyl 1,2-diethylbenzimidazole-5-carboxylate
SMILESCCc1nc2cc(C(=O)OC)ccc2n1CC
InChIInChI=1S/C13H16N2O2/c1-4-12-14-10-8-9(13(16)17-3)6-7-11(10)15(12)5-2/h6-8H,4-5H2,1-3H3
InChIKeyNQFGHQMCNZMXIV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.41
Rot. Bonds3

About methyl 1,2-diethylbenzimidazole-5-carboxylate

methyl 1,2-diethylbenzimidazole-5-carboxylate (PubChem CID 167201887) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 1,2-diethylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-diethylbenzimidazole-5-carboxylate
PubChem CID167201887
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 1,2-diethylbenzimidazole-5-carboxylate
SMILESCCc1nc2cc(C(=O)OC)ccc2n1CC
InChIInChI=1S/C13H16N2O2/c1-4-12-14-10-8-9(13(16)17-3)6-7-11(10)15(12)5-2/h6-8H,4-5H2,1-3H3
InChIKeyNQFGHQMCNZMXIV-UHFFFAOYSA-N
XLogP2.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
CID 7996375
methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate;2,4,6-trinitrophenol
CID 21232887
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
methyl 4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylamino]benzoate
CID 37475473
methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;dihydrobromide
CID 140862551
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
methyl 3-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]sulfamoyl]benzoate
CID 31699528
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218
ethyl 2-[(4-tert-butylphenoxy)methyl]-1-ethylbenzimidazole-5-carboxylate
CID 4291889
N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
CID 131947501

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-diethylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1,2-diethylbenzimidazole-5-carboxylate (CID 167201887) is methyl 1,2-diethylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1,2-diethylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1,2-diethylbenzimidazole-5-carboxylate is CCc1nc2cc(C(=O)OC)ccc2n1CC.
What is the InChIKey of methyl 1,2-diethylbenzimidazole-5-carboxylate?
The InChIKey is NQFGHQMCNZMXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-12-14-10-8-9(13(16)17-3)6-7-11(10)15(12)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 1,2-diethylbenzimidazole-5-carboxylate?
methyl 1,2-diethylbenzimidazole-5-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-diethylbenzimidazole-5-carboxylate is sourced from PubChem (CID 167201887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).