(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole

C13H22N2 — CID 70866026

IUPAC(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/CC(C)CC(C)C
InChIInChI=1S/C13H22N2/c1-5-12-13(15-9-14-12)7-6-11(4)8-10(2)3/h5,7,9-11H,6,8H2,1-4H3,(H,14,15)/b12-5+,13-7+
InChIKeyHXZROHKNDSXMNQ-HBGINIEDSA-N
MW206.33 g/mol
LogP2.06
Rot. Bonds4

About (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole

(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole (PubChem CID 70866026) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
PubChem CID70866026
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/CC(C)CC(C)C
InChIInChI=1S/C13H22N2/c1-5-12-13(15-9-14-12)7-6-11(4)8-10(2)3/h5,7,9-11H,6,8H2,1-4H3,(H,14,15)/b12-5+,13-7+
InChIKeyHXZROHKNDSXMNQ-HBGINIEDSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole?
The IUPAC name of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole (CID 70866026) is (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole is C/C=c1/nc[nH]/c1=C/CC(C)CC(C)C.
What is the InChIKey of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole?
The InChIKey is HXZROHKNDSXMNQ-HBGINIEDSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-12-13(15-9-14-12)7-6-11(4)8-10(2)3/h5,7,9-11H,6,8H2,1-4H3,(H,14,15)/b12-5+,13-7+.
What are the key properties of (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole?
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole has a molecular weight of 206.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole is sourced from PubChem (CID 70866026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).