2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C13H14N6O2 — CID 30864788

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C13H14N6O2/c1-2-18-9-5-3-4-6-10(9)19(13(18)21)7-11(20)16-12-14-8-15-17-12/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17,20)
InChIKeySZRXGLOEAMKRRB-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.58
Rot. Bonds4

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 30864788) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID30864788
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C13H14N6O2/c1-2-18-9-5-3-4-6-10(9)19(13(18)21)7-11(20)16-12-14-8-15-17-12/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17,20)
InChIKeySZRXGLOEAMKRRB-UHFFFAOYSA-N
XLogP0.58
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 30864788) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2ncn[nH]2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is SZRXGLOEAMKRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-2-18-9-5-3-4-6-10(9)19(13(18)21)7-11(20)16-12-14-8-15-17-12/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17,20).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 286.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 30864788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).