(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole

C7H12N2 — CID 134476232

IUPAC(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole
SMILESC/C=C1/N=CN(C)C1C
InChIInChI=1S/C7H12N2/c1-4-7-6(2)9(3)5-8-7/h4-6H,1-3H3/b7-4+
InChIKeyHHSHVSZWFQBXGG-QPJJXVBHSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds

About (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole

(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole (PubChem CID 134476232) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole.

Molecular Properties

Compound Name(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole
PubChem CID134476232
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole
SMILESC/C=C1/N=CN(C)C1C
InChIInChI=1S/C7H12N2/c1-4-7-6(2)9(3)5-8-7/h4-6H,1-3H3/b7-4+
InChIKeyHHSHVSZWFQBXGG-QPJJXVBHSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole?
The IUPAC name of (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole (CID 134476232) is (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole.
What is the SMILES notation for (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole?
The canonical SMILES for (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole is C/C=C1/N=CN(C)C1C.
What is the InChIKey of (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole?
The InChIKey is HHSHVSZWFQBXGG-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7-6(2)9(3)5-8-7/h4-6H,1-3H3/b7-4+.
What are the key properties of (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole?
(5E)-5-ethylidene-3,4-dimethyl-4H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-3,4-dimethyl-4H-imidazole is sourced from PubChem (CID 134476232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).