2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole

C10H14N4 — CID 86083948

IUPAC2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole
SMILESCCc1ncc(-c2cnc(CC)[nH]2)[nH]1
InChIInChI=1S/C10H14N4/c1-3-9-11-5-7(13-9)8-6-12-10(4-2)14-8/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyKXGJBHKWVHJRTM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.92
Rot. Bonds3

About 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole

2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole (PubChem CID 86083948) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole
PubChem CID86083948
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole
SMILESCCc1ncc(-c2cnc(CC)[nH]2)[nH]1
InChIInChI=1S/C10H14N4/c1-3-9-11-5-7(13-9)8-6-12-10(4-2)14-8/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyKXGJBHKWVHJRTM-UHFFFAOYSA-N
XLogP1.92
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole?
The IUPAC name of 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole (CID 86083948) is 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole?
The canonical SMILES for 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole is CCc1ncc(-c2cnc(CC)[nH]2)[nH]1.
What is the InChIKey of 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole?
The InChIKey is KXGJBHKWVHJRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-3-9-11-5-7(13-9)8-6-12-10(4-2)14-8/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole?
2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole has a molecular weight of 190.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole is sourced from PubChem (CID 86083948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).