2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C15H14N4O2S — CID 122159016

IUPAC2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)NC(=O)NCc1cccs1
InChIInChI=1S/C15H14N4O2S/c20-14(18-15(21)16-8-11-4-3-7-22-11)9-19-10-17-12-5-1-2-6-13(12)19/h1-7,10H,8-9H2,(H2,16,18,20,21)
InChIKeyNZVRENGKVHSBCZ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.12
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 122159016) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID122159016
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)NC(=O)NCc1cccs1
InChIInChI=1S/C15H14N4O2S/c20-14(18-15(21)16-8-11-4-3-7-22-11)9-19-10-17-12-5-1-2-6-13(12)19/h1-7,10H,8-9H2,(H2,16,18,20,21)
InChIKeyNZVRENGKVHSBCZ-UHFFFAOYSA-N
XLogP2.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40755966
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523052
2-(benzimidazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110445560
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 91641807
4-oxo-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 43363851
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 112798567
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-(benzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885288
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9462455

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 122159016) is 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(Cn1cnc2ccccc21)NC(=O)NCc1cccs1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is NZVRENGKVHSBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-14(18-15(21)16-8-11-4-3-7-22-11)9-19-10-17-12-5-1-2-6-13(12)19/h1-7,10H,8-9H2,(H2,16,18,20,21).
What are the key properties of 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 122159016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).