N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide

C17H18N4O2S — CID 4971215

IUPACN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C
InChIInChI=1S/C17H18N4O2S/c1-11(22)18-8-7-16-20-13-10-12(5-6-14(13)21(16)2)19-17(23)15-4-3-9-24-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyWUZSUHWEYVZIFX-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide

N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 4971215) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID4971215
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C
InChIInChI=1S/C17H18N4O2S/c1-11(22)18-8-7-16-20-13-10-12(5-6-14(13)21(16)2)19-17(23)15-4-3-9-24-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyWUZSUHWEYVZIFX-UHFFFAOYSA-N
XLogP2.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-6-(6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl)-4H,5H-thieno(3,2-b)pyridin-5-one
CID 137297825
N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 1160447
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenylthiophene-2-carboxamide
CID 11341428
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-bromothiophene-2-carboxamide
CID 25190519
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-cyanothiophene-2-carboxamide
CID 25190520
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-acetylthiophene-2-carboxamide
CID 25190522
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
5-(2-amino-1,3-thiazol-4-yl)-N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-2-carboxamide
CID 25190533
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide (CID 4971215) is N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide is CC(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C.
What is the InChIKey of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is WUZSUHWEYVZIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(22)18-8-7-16-20-13-10-12(5-6-14(13)21(16)2)19-17(23)15-4-3-9-24-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4971215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).