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

C10H16N2 — CID 155004973

IUPAC(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/CC(C)C
InChIInChI=1S/C10H16N2/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4,6-8H,5H2,1-3H3,(H,11,12)/b9-4+,10-6+
InChIKeyDVQQBEZUAKZEOS-IPHTWBMMSA-N
MW164.25 g/mol
LogP1.04
Rot. Bonds2

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

(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole (PubChem CID 155004973) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole
PubChem CID155004973
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/CC(C)C
InChIInChI=1S/C10H16N2/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4,6-8H,5H2,1-3H3,(H,11,12)/b9-4+,10-6+
InChIKeyDVQQBEZUAKZEOS-IPHTWBMMSA-N
XLogP1.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole?
The IUPAC name of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole (CID 155004973) is (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole?
The canonical SMILES for (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole is C/C=c1/nc[nH]/c1=C/CC(C)C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole?
The InChIKey is DVQQBEZUAKZEOS-IPHTWBMMSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4,6-8H,5H2,1-3H3,(H,11,12)/b9-4+,10-6+.
What are the key properties of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole?
(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1H-imidazole is sourced from PubChem (CID 155004973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).