(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole

C11H15IN2 — CID 126757787

IUPAC(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole
SMILESC=C/C(=c1/ncn(I)/c1=C/C)C(C)C
InChIInChI=1S/C11H15IN2/c1-5-9(8(3)4)11-10(6-2)14(12)7-13-11/h5-8H,1H2,2-4H3/b10-6+,11-9-
InChIKeyFDYGNNXEVHCYGY-QCOLZXCRSA-N
MW302.16 g/mol
LogP1.87
Rot. Bonds2

About (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole

(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole (PubChem CID 126757787) has the molecular formula C11H15IN2 and a molecular weight of 302.16 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole
PubChem CID126757787
Molecular FormulaC11H15IN2
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole
SMILESC=C/C(=c1/ncn(I)/c1=C/C)C(C)C
InChIInChI=1S/C11H15IN2/c1-5-9(8(3)4)11-10(6-2)14(12)7-13-11/h5-8H,1H2,2-4H3/b10-6+,11-9-
InChIKeyFDYGNNXEVHCYGY-QCOLZXCRSA-N
XLogP1.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole?
The IUPAC name of (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole (CID 126757787) is (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole.
What is the SMILES notation for (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole?
The canonical SMILES for (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole is C=C/C(=c1/ncn(I)/c1=C/C)C(C)C.
What is the InChIKey of (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole?
The InChIKey is FDYGNNXEVHCYGY-QCOLZXCRSA-N. The full InChI is InChI=1S/C11H15IN2/c1-5-9(8(3)4)11-10(6-2)14(12)7-13-11/h5-8H,1H2,2-4H3/b10-6+,11-9-.
What are the key properties of (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole?
(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole has a molecular weight of 302.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole is sourced from PubChem (CID 126757787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).