6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine

C14H13N5O2 — CID 80841846

IUPAC6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(-n2cnc3ccccc32)n1
InChIInChI=1S/C14H13N5O2/c1-2-15-13-8-7-12(19(20)21)14(17-13)18-9-16-10-5-3-4-6-11(10)18/h3-9H,2H2,1H3,(H,15,17)
InChIKeyALCPXELJEFKFLR-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.76
Rot. Bonds4

About 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine

6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine (PubChem CID 80841846) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine
PubChem CID80841846
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(-n2cnc3ccccc32)n1
InChIInChI=1S/C14H13N5O2/c1-2-15-13-8-7-12(19(20)21)14(17-13)18-9-16-10-5-3-4-6-11(10)18/h3-9H,2H2,1H3,(H,15,17)
InChIKeyALCPXELJEFKFLR-UHFFFAOYSA-N
XLogP2.76
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
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

3-(benzimidazol-1-yl)-N-ethyl-5-nitroaniline
CID 80841729
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
1-(3-ethoxy-4-nitrophenyl)benzimidazole
CID 115885942
N-ethyl-5-nitroquinolin-2-amine
CID 59551851
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
5-(benzimidazol-1-yl)-2-nitroaniline
CID 10354943
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine (CID 80841846) is 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(-n2cnc3ccccc32)n1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is ALCPXELJEFKFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-15-13-8-7-12(19(20)21)14(17-13)18-9-16-10-5-3-4-6-11(10)18/h3-9H,2H2,1H3,(H,15,17).
What are the key properties of 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine?
6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 283.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).