N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

C12H12N6O — CID 47155435

IUPACN-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2[nH]1)n1cncn1
InChIInChI=1S/C12H12N6O/c1-8(18-7-13-6-14-18)11(19)17-12-15-9-4-2-3-5-10(9)16-12/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyJFYZWOVUZOAJMC-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.35
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47155435) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID47155435
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2[nH]1)n1cncn1
InChIInChI=1S/C12H12N6O/c1-8(18-7-13-6-14-18)11(19)17-12-15-9-4-2-3-5-10(9)16-12/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyJFYZWOVUZOAJMC-UHFFFAOYSA-N
XLogP1.35
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 62686023
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
CID 46596655
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729037
N-(1H-benzimidazol-2-yl)-3-methylhexanamide
CID 75418801
N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 50965855
N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
CID 53199759
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 47155435) is N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1nc2ccccc2[nH]1)n1cncn1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JFYZWOVUZOAJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8(18-7-13-6-14-18)11(19)17-12-15-9-4-2-3-5-10(9)16-12/h2-8H,1H3,(H2,15,16,17,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47155435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).