methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate

C14H12N2O3S — CID 115357609

IUPACmethyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3cc(OC)cs3)nc12
InChIInChI=1S/C14H12N2O3S/c1-18-8-6-11(20-7-8)13-15-10-5-3-4-9(12(10)16-13)14(17)19-2/h3-7H,1-2H3,(H,15,16)
InChIKeyOKKXLGLXXMXWGP-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.09
Rot. Bonds3

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

methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate (PubChem CID 115357609) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
PubChem CID115357609
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Namemethyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3cc(OC)cs3)nc12
InChIInChI=1S/C14H12N2O3S/c1-18-8-6-11(20-7-8)13-15-10-5-3-4-9(12(10)16-13)14(17)19-2/h3-7H,1-2H3,(H,15,16)
InChIKeyOKKXLGLXXMXWGP-UHFFFAOYSA-N
XLogP3.09
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357561
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
methyl 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxylate
CID 141466209
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
CID 114560144
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 115357586

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate (CID 115357609) is methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(-c3cc(OC)cs3)nc12.
What is the InChIKey of methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate?
The InChIKey is OKKXLGLXXMXWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-8-6-11(20-7-8)13-15-10-5-3-4-9(12(10)16-13)14(17)19-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate?
methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 115357609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).