methyl 3-ethoxybenzimidazole-4-carboxylate

C11H12N2O3 — CID 141072626

IUPACmethyl 3-ethoxybenzimidazole-4-carboxylate
SMILESCCOn1cnc2cccc(C(=O)OC)c21
InChIInChI=1S/C11H12N2O3/c1-3-16-13-7-12-9-6-4-5-8(10(9)13)11(14)15-2/h4-7H,3H2,1-2H3
InChIKeyFTSLZQJEBWZZBW-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.27
Rot. Bonds3

About methyl 3-ethoxybenzimidazole-4-carboxylate

methyl 3-ethoxybenzimidazole-4-carboxylate (PubChem CID 141072626) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 3-ethoxybenzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxybenzimidazole-4-carboxylate
PubChem CID141072626
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 3-ethoxybenzimidazole-4-carboxylate
SMILESCCOn1cnc2cccc(C(=O)OC)c21
InChIInChI=1S/C11H12N2O3/c1-3-16-13-7-12-9-6-4-5-8(10(9)13)11(14)15-2/h4-7H,3H2,1-2H3
InChIKeyFTSLZQJEBWZZBW-UHFFFAOYSA-N
XLogP1.27
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 3-[2-(methylamino)ethyl]benzimidazole-4-carboxylate
CID 158518328
2-(7-ethoxycarbonylbenzimidazol-1-yl)acetic acid
CID 69266659
methyl 2-methyl-3-(2-oxoethyl)benzimidazole-4-carboxylate
CID 86672708
methyl 3-ethoxyquinoxaline-5-carboxylate
CID 142784976
methyl 3-(2,2-dimethoxyethyl)-2-ethylbenzimidazole-4-carboxylate
CID 89077541
methyl 2-ethoxy-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 15654679
methyl 2-amino-3-(cyclobutadienyl)benzimidazole-4-carboxylate
CID 118938344
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-[4-[(2-ethoxy-7-methoxycarbonylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 135742044

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxybenzimidazole-4-carboxylate?
The IUPAC name of methyl 3-ethoxybenzimidazole-4-carboxylate (CID 141072626) is methyl 3-ethoxybenzimidazole-4-carboxylate.
What is the SMILES notation for methyl 3-ethoxybenzimidazole-4-carboxylate?
The canonical SMILES for methyl 3-ethoxybenzimidazole-4-carboxylate is CCOn1cnc2cccc(C(=O)OC)c21.
What is the InChIKey of methyl 3-ethoxybenzimidazole-4-carboxylate?
The InChIKey is FTSLZQJEBWZZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-13-7-12-9-6-4-5-8(10(9)13)11(14)15-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 3-ethoxybenzimidazole-4-carboxylate?
methyl 3-ethoxybenzimidazole-4-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxybenzimidazole-4-carboxylate is sourced from PubChem (CID 141072626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).