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

C14H16N6O2 — CID 30864794

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C14H16N6O2/c1-2-19-10-5-3-4-6-11(10)20(14(19)22)8-7-12(21)17-13-15-9-16-18-13/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18,21)
InChIKeyIKAWAMMZYXISIP-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.97
Rot. Bonds5

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

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30864794) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30864794
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C14H16N6O2/c1-2-19-10-5-3-4-6-11(10)20(14(19)22)8-7-12(21)17-13-15-9-16-18-13/h3-6,9H,2,7-8H2,1H3,(H2,15,16,17,18,21)
InChIKeyIKAWAMMZYXISIP-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 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30864794) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is CCn1c(=O)n(CCC(=O)Nc2ncn[nH]2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is IKAWAMMZYXISIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-2-19-10-5-3-4-6-11(10)20(14(19)22)8-7-12(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 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide 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 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30864794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).