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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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).