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

C15H18N6O2 — CID 30865058

IUPAC3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C15H18N6O2/c1-2-8-20-11-5-3-4-6-12(11)21(15(20)23)9-7-13(22)18-14-16-10-17-19-14/h3-6,10H,2,7-9H2,1H3,(H2,16,17,18,19,22)
InChIKeyPUNRNAYLVXWVEP-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.36
Rot. Bonds6

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

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30865058) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30865058
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ncn[nH]2)c2ccccc21
InChIInChI=1S/C15H18N6O2/c1-2-8-20-11-5-3-4-6-12(11)21(15(20)23)9-7-13(22)18-14-16-10-17-19-14/h3-6,10H,2,7-9H2,1H3,(H2,16,17,18,19,22)
InChIKeyPUNRNAYLVXWVEP-UHFFFAOYSA-N
XLogP1.36
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30865058) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2ncn[nH]2)c2ccccc21.
What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is PUNRNAYLVXWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-2-8-20-11-5-3-4-6-12(11)21(15(20)23)9-7-13(22)18-14-16-10-17-19-14/h3-6,10H,2,7-9H2,1H3,(H2,16,17,18,19,22).
What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 314.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30865058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).