N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide

C15H16N6O3 — CID 5296233

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NCCc1nc2ccccc2[nH]1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H16N6O3/c1-10(20-9-11(8-17-20)21(23)24)15(22)16-7-6-14-18-12-4-2-3-5-13(12)19-14/h2-5,8-10H,6-7H2,1H3,(H,16,22)(H,18,19)
InChIKeyFWGCYFJQEQQTIX-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 5296233) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID5296233
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NCCc1nc2ccccc2[nH]1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H16N6O3/c1-10(20-9-11(8-17-20)21(23)24)15(22)16-7-6-14-18-12-4-2-3-5-13(12)19-14/h2-5,8-10H,6-7H2,1H3,(H,16,22)(H,18,19)
InChIKeyFWGCYFJQEQQTIX-UHFFFAOYSA-N
XLogP1.59
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]acetamide
CID 135909510
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1509773
2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
CID 16227558
1-methyl-4-nitro-N-(2-phenyl-1H-benzimidazol-5-yl)pyrazole-3-carboxamide
CID 3147229
N-(1H-benzimidazol-2-ylmethyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1509782
N-(1H-benzimidazol-2-ylmethyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1509852
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide
CID 3147216
(E)-3-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]-N-hydroxyprop-2-enamide
CID 135985828
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 3119321
2-methyl-4-nitro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 3569531
2-methyl-4-nitro-N-(2-phenyl-1H-benzimidazol-5-yl)pyrazole-3-carboxamide
CID 3147228
1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547021

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide (CID 5296233) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide is CC(C(=O)NCCc1nc2ccccc2[nH]1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is FWGCYFJQEQQTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-10(20-9-11(8-17-20)21(23)24)15(22)16-7-6-14-18-12-4-2-3-5-13(12)19-14/h2-5,8-10H,6-7H2,1H3,(H,16,22)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 328.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 5296233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).