(4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole

C16H26N2 — CID 155093865

IUPAC(4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole
SMILESC=C(/C=c1/[nH]c(C(C)(C)C)n/c1=C/C)C(C)(C)C
InChIInChI=1S/C16H26N2/c1-9-12-13(10-11(2)15(3,4)5)18-14(17-12)16(6,7)8/h9-10H,2H2,1,3-8H3,(H,17,18)/b12-9+,13-10+
InChIKeyFWLDNALVCHXZJO-JOWSBRCASA-N
MW246.40 g/mol
LogP2.89
Rot. Bonds1

About (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole

(4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole (PubChem CID 155093865) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole
PubChem CID155093865
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole
SMILESC=C(/C=c1/[nH]c(C(C)(C)C)n/c1=C/C)C(C)(C)C
InChIInChI=1S/C16H26N2/c1-9-12-13(10-11(2)15(3,4)5)18-14(17-12)16(6,7)8/h9-10H,2H2,1,3-8H3,(H,17,18)/b12-9+,13-10+
InChIKeyFWLDNALVCHXZJO-JOWSBRCASA-N
XLogP2.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole?
The IUPAC name of (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole (CID 155093865) is (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole is C=C(/C=c1/[nH]c(C(C)(C)C)n/c1=C/C)C(C)(C)C.
What is the InChIKey of (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole?
The InChIKey is FWLDNALVCHXZJO-JOWSBRCASA-N. The full InChI is InChI=1S/C16H26N2/c1-9-12-13(10-11(2)15(3,4)5)18-14(17-12)16(6,7)8/h9-10H,2H2,1,3-8H3,(H,17,18)/b12-9+,13-10+.
What are the key properties of (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole?
(4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole has a molecular weight of 246.40 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-tert-butyl-5-(3,3-dimethyl-2-methylidenebutylidene)-4-ethylidene-1H-imidazole is sourced from PubChem (CID 155093865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).