1,3-diethyl-2H-imidazole

C7H14N2 — CID 19358755

IUPAC1,3-diethyl-2H-imidazole
SMILESCCN1C=CN(CC)C1
InChIInChI=1S/C7H14N2/c1-3-8-5-6-9(4-2)7-8/h5-6H,3-4,7H2,1-2H3
InChIKeyRYNROCNODWBDCM-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.07
Rot. Bonds2

About 1,3-diethyl-2H-imidazole

1,3-diethyl-2H-imidazole (PubChem CID 19358755) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,3-diethyl-2H-imidazole.

Molecular Properties

Compound Name1,3-diethyl-2H-imidazole
PubChem CID19358755
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,3-diethyl-2H-imidazole
SMILESCCN1C=CN(CC)C1
InChIInChI=1S/C7H14N2/c1-3-8-5-6-9(4-2)7-8/h5-6H,3-4,7H2,1-2H3
InChIKeyRYNROCNODWBDCM-UHFFFAOYSA-N
XLogP1.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2H-imidazole?
The IUPAC name of 1,3-diethyl-2H-imidazole (CID 19358755) is 1,3-diethyl-2H-imidazole.
What is the SMILES notation for 1,3-diethyl-2H-imidazole?
The canonical SMILES for 1,3-diethyl-2H-imidazole is CCN1C=CN(CC)C1.
What is the InChIKey of 1,3-diethyl-2H-imidazole?
The InChIKey is RYNROCNODWBDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-8-5-6-9(4-2)7-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1,3-diethyl-2H-imidazole?
1,3-diethyl-2H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2H-imidazole is sourced from PubChem (CID 19358755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).