(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole

C14H22N2 — CID 137466850

IUPAC(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole
SMILESC=C/C=c1/[nH]c(CCC)n/c1=C/CCCC
InChIInChI=1S/C14H22N2/c1-4-7-8-11-13-12(9-5-2)15-14(16-13)10-6-3/h5,9,11H,2,4,6-8,10H2,1,3H3,(H,15,16)/b12-9+,13-11+
InChIKeyOJQVMQGWPPLTAU-RBDPUHSXSA-N
MW218.34 g/mol
LogP2.30
Rot. Bonds6

About (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole

(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole (PubChem CID 137466850) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole
PubChem CID137466850
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole
SMILESC=C/C=c1/[nH]c(CCC)n/c1=C/CCCC
InChIInChI=1S/C14H22N2/c1-4-7-8-11-13-12(9-5-2)15-14(16-13)10-6-3/h5,9,11H,2,4,6-8,10H2,1,3H3,(H,15,16)/b12-9+,13-11+
InChIKeyOJQVMQGWPPLTAU-RBDPUHSXSA-N
XLogP2.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole?
The IUPAC name of (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole (CID 137466850) is (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole?
The canonical SMILES for (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole is C=C/C=c1/[nH]c(CCC)n/c1=C/CCCC.
What is the InChIKey of (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole?
The InChIKey is OJQVMQGWPPLTAU-RBDPUHSXSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-7-8-11-13-12(9-5-2)15-14(16-13)10-6-3/h5,9,11H,2,4,6-8,10H2,1,3H3,(H,15,16)/b12-9+,13-11+.
What are the key properties of (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole?
(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole has a molecular weight of 218.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole is sourced from PubChem (CID 137466850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).