1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione

C14H11N3O2 — CID 46933601

IUPAC1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione
SMILESCCn1c(-c2cccnc2)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C14H11N3O2/c1-2-17-13-11(19)6-5-10(18)12(13)16-14(17)9-4-3-7-15-8-9/h3-8H,2H2,1H3
InChIKeyZEXSIWNUYAVVKA-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.90
Rot. Bonds2

About 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione

1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione (PubChem CID 46933601) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione.

Molecular Properties

Compound Name1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione
PubChem CID46933601
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione
SMILESCCn1c(-c2cccnc2)nc2c1C(=O)C=CC2=O
InChIInChI=1S/C14H11N3O2/c1-2-17-13-11(19)6-5-10(18)12(13)16-14(17)9-4-3-7-15-8-9/h3-8H,2H2,1H3
InChIKeyZEXSIWNUYAVVKA-UHFFFAOYSA-N
XLogP1.90
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine
CID 91672389
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one
CID 23819331
2-pyridin-3-yl-1-undecylbenzimidazole
CID 18878842
4-butyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 2219373
3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164679
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
2-methyl-6-pyridin-3-ylpyridine;propane
CID 144615785
3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428157
2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28899206
2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 28752905

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione?
The IUPAC name of 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione (CID 46933601) is 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione.
What is the SMILES notation for 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione?
The canonical SMILES for 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione is CCn1c(-c2cccnc2)nc2c1C(=O)C=CC2=O.
What is the InChIKey of 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione?
The InChIKey is ZEXSIWNUYAVVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-2-17-13-11(19)6-5-10(18)12(13)16-14(17)9-4-3-7-15-8-9/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione?
1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione has a molecular weight of 253.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione is sourced from PubChem (CID 46933601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).