2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C14H16N6O2 — CID 30865025

IUPAC2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C14H16N6O2/c1-2-7-19-10-5-3-4-6-11(10)20(14(19)22)8-12(21)17-13-15-9-16-18-13/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18,21)
InChIKeyAREKHURTTUKMDH-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.97
Rot. Bonds5

About 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 30865025) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID30865025
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C14H16N6O2/c1-2-7-19-10-5-3-4-6-11(10)20(14(19)22)8-12(21)17-13-15-9-16-18-13/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18,21)
InChIKeyAREKHURTTUKMDH-UHFFFAOYSA-N
XLogP0.97
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 30865025) is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is CCCn1c(=O)n(CC(=O)Nc2ncn[nH]2)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is AREKHURTTUKMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-2-7-19-10-5-3-4-6-11(10)20(14(19)22)8-12(21)17-13-15-9-16-18-13/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18,21).
What are the key properties of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 300.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 30865025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).