2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

C21H24N8O — CID 119060332

IUPAC2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCC(C)Cc1nc2ccccc2n1C(C)C(=O)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C21H24N8O/c1-13(2)10-19-25-15-6-4-5-7-17(15)29(19)14(3)21(30)24-12-18-26-20(28-27-18)16-11-22-8-9-23-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,24,30)(H,26,27,28)
InChIKeyHUGGOTNZNFDEFR-UHFFFAOYSA-N
MW404.48 g/mol
LogP2.69
Rot. Bonds7

About 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (PubChem CID 119060332) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
PubChem CID119060332
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCC(C)Cc1nc2ccccc2n1C(C)C(=O)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C21H24N8O/c1-13(2)10-19-25-15-6-4-5-7-17(15)29(19)14(3)21(30)24-12-18-26-20(28-27-18)16-11-22-8-9-23-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,24,30)(H,26,27,28)
InChIKeyHUGGOTNZNFDEFR-UHFFFAOYSA-N
XLogP2.69
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[(5-chloropyrimidin-2-yl)methyl]-2-[2-(2-methylpropyl)benzimidazol-1-yl]propanamide
CID 126435517
2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 90649648
5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide
CID 90650267
2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 119060951
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)butanamide
CID 72875268
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 131925368
N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 1485402
4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 119062894
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 77090946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The IUPAC name of 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (CID 119060332) is 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is CC(C)Cc1nc2ccccc2n1C(C)C(=O)NCc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The InChIKey is HUGGOTNZNFDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-13(2)10-19-25-15-6-4-5-7-17(15)29(19)14(3)21(30)24-12-18-26-20(28-27-18)16-11-22-8-9-23-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,24,30)(H,26,27,28).
What are the key properties of 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide has a molecular weight of 404.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is sourced from PubChem (CID 119060332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).