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

C8H10N4 — CID 12586791

IUPAC1-ethyl-2-(1H-imidazol-2-yl)imidazole
SMILESCCn1ccnc1-c1ncc[nH]1
InChIInChI=1S/C8H10N4/c1-2-12-6-5-11-8(12)7-9-3-4-10-7/h3-6H,2H2,1H3,(H,9,10)
InChIKeyKYMKFISXRHQUEG-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.29
Rot. Bonds2

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

1-ethyl-2-(1H-imidazol-2-yl)imidazole (PubChem CID 12586791) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-ethyl-2-(1H-imidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-(1H-imidazol-2-yl)imidazole
PubChem CID12586791
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-ethyl-2-(1H-imidazol-2-yl)imidazole
SMILESCCn1ccnc1-c1ncc[nH]1
InChIInChI=1S/C8H10N4/c1-2-12-6-5-11-8(12)7-9-3-4-10-7/h3-6H,2H2,1H3,(H,9,10)
InChIKeyKYMKFISXRHQUEG-UHFFFAOYSA-N
XLogP1.29
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
2,2'-Biimidazole
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2-Propylimidazole
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6-(1H-imidazol-1-ylmethyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 676139
1,4-bis(1H-imidazol-2-ylmethyl)piperazine
CID 272245
N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine
CID 4962631
2-(2-Methyl-1H-imidazol-1-yl)ethan-1-amine
CID 3157480
(1-methyl-1H-imidazol-2-yl)methanamine
CID 533842
1-(1-Imidazol-1-yl-1-methyl-ethyl)imidazole
CID 3007429
2-aminomethyl-1H-imidazole
CID 1382041
1-(1H-imidazole-1-carboximidoyl)-1H-imidazole
CID 11355654

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1H-imidazol-2-yl)imidazole?
The IUPAC name of 1-ethyl-2-(1H-imidazol-2-yl)imidazole (CID 12586791) is 1-ethyl-2-(1H-imidazol-2-yl)imidazole.
What is the SMILES notation for 1-ethyl-2-(1H-imidazol-2-yl)imidazole?
The canonical SMILES for 1-ethyl-2-(1H-imidazol-2-yl)imidazole is CCn1ccnc1-c1ncc[nH]1.
What is the InChIKey of 1-ethyl-2-(1H-imidazol-2-yl)imidazole?
The InChIKey is KYMKFISXRHQUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-12-6-5-11-8(12)7-9-3-4-10-7/h3-6H,2H2,1H3,(H,9,10).
What are the key properties of 1-ethyl-2-(1H-imidazol-2-yl)imidazole?
1-ethyl-2-(1H-imidazol-2-yl)imidazole has a molecular weight of 162.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1H-imidazol-2-yl)imidazole is sourced from PubChem (CID 12586791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).