methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate

C16H15N3O3S — CID 134050321

IUPACmethyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2nc3ccccc3n2C)s1
InChIInChI=1S/C16H15N3O3S/c1-19-11-6-4-3-5-10(11)18-14(19)9-17-15(20)12-7-8-13(23-12)16(21)22-2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyZOFBOWPJVBLLSZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.35
Rot. Bonds4

About methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate

methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate (PubChem CID 134050321) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
PubChem CID134050321
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namemethyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2nc3ccccc3n2C)s1
InChIInChI=1S/C16H15N3O3S/c1-19-11-6-4-3-5-10(11)18-14(19)9-17-15(20)12-7-8-13(23-12)16(21)22-2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyZOFBOWPJVBLLSZ-UHFFFAOYSA-N
XLogP2.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
CID 134050299
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate (CID 134050321) is methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NCc2nc3ccccc3n2C)s1.
What is the InChIKey of methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is ZOFBOWPJVBLLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-19-11-6-4-3-5-10(11)18-14(19)9-17-15(20)12-7-8-13(23-12)16(21)22-2/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 134050321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).