methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate

C15H14N2O2S — CID 115357561

IUPACmethyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate
SMILESCCc1ccc(-c2nc3c(C(=O)OC)cccc3[nH]2)s1
InChIInChI=1S/C15H14N2O2S/c1-3-9-7-8-12(20-9)14-16-11-6-4-5-10(13(11)17-14)15(18)19-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyBTNFAAUNPXCJGK-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.64
Rot. Bonds3

About methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate

methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate (PubChem CID 115357561) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate
PubChem CID115357561
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namemethyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate
SMILESCCc1ccc(-c2nc3c(C(=O)OC)cccc3[nH]2)s1
InChIInChI=1S/C15H14N2O2S/c1-3-9-7-8-12(20-9)14-16-11-6-4-5-10(13(11)17-14)15(18)19-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyBTNFAAUNPXCJGK-UHFFFAOYSA-N
XLogP3.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357609
methyl 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxylate
CID 141466209
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
CID 114560144
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 115357586
methyl 2-[(1S)-1-hydroxyethyl]-1H-benzimidazole-4-carboxylate
CID 115357702

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate (CID 115357561) is methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate is CCc1ccc(-c2nc3c(C(=O)OC)cccc3[nH]2)s1.
What is the InChIKey of methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate?
The InChIKey is BTNFAAUNPXCJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-9-7-8-12(20-9)14-16-11-6-4-5-10(13(11)17-14)15(18)19-2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate?
methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 115357561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).