ethyl 2-methyl-1H-benzimidazole-4-carboxylate

C11H12N2O2 — CID 18680979

IUPACethyl 2-methyl-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)8-5-4-6-9-10(8)13-7(2)12-9/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySFDALSUFTGWIQI-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.05
Rot. Bonds2

About ethyl 2-methyl-1H-benzimidazole-4-carboxylate

ethyl 2-methyl-1H-benzimidazole-4-carboxylate (PubChem CID 18680979) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-methyl-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1H-benzimidazole-4-carboxylate
PubChem CID18680979
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-methyl-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)8-5-4-6-9-10(8)13-7(2)12-9/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySFDALSUFTGWIQI-UHFFFAOYSA-N
XLogP2.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-tert-butyl-1H-benzimidazole-4-carboxylate
CID 83422569
ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate
CID 18354850
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
(2-methyl-1H-benzimidazol-4-yl)methyl acetate
CID 58897321
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
ethane;ethyl 2-[(2Z,4Z)-2-aminohexa-2,4-dien-3-yl]-1H-benzimidazole-4-carboxylate;prop-1-yne
CID 142262331
butanedioic acid;2,4-dimethyl-1H-benzimidazole
CID 159349051
ethyl 2-amino-1,3-benzothiazole-4-carboxylate
CID 19894837
ethyl 4-iodo-1H-benzimidazole-2-carboxylate
CID 131472468
ethyl 4-nitro-1H-benzimidazole-2-carboxylate
CID 141488459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1H-benzimidazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-1H-benzimidazole-4-carboxylate (CID 18680979) is ethyl 2-methyl-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1H-benzimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-1H-benzimidazole-4-carboxylate is CCOC(=O)c1cccc2[nH]c(C)nc12.
What is the InChIKey of ethyl 2-methyl-1H-benzimidazole-4-carboxylate?
The InChIKey is SFDALSUFTGWIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-11(14)8-5-4-6-9-10(8)13-7(2)12-9/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-methyl-1H-benzimidazole-4-carboxylate?
ethyl 2-methyl-1H-benzimidazole-4-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 18680979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).