N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide

C18H20N4O2S — CID 6484089

IUPACN-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCC(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C
InChIInChI=1S/C18H20N4O2S/c1-3-17(23)19-9-8-16-21-13-11-12(6-7-14(13)22(16)2)20-18(24)15-5-4-10-25-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyYGDWGOIMLWZHMG-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.96
Rot. Bonds6

About N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide

N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 6484089) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID6484089
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCC(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C
InChIInChI=1S/C18H20N4O2S/c1-3-17(23)19-9-8-16-21-13-11-12(6-7-14(13)22(16)2)20-18(24)15-5-4-10-25-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyYGDWGOIMLWZHMG-UHFFFAOYSA-N
XLogP2.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.96
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-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide (CID 6484089) is N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide is CCC(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C.
What is the InChIKey of N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is YGDWGOIMLWZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-17(23)19-9-8-16-21-13-11-12(6-7-14(13)22(16)2)20-18(24)15-5-4-10-25-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide?
N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 6484089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).