2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole

C12H18N2 — CID 143030066

IUPAC2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole
SMILESC=C/C=C\C(=C/C)CC1=NCCN1C
InChIInChI=1S/C12H18N2/c1-4-6-7-11(5-2)10-12-13-8-9-14(12)3/h4-7H,1,8-10H2,2-3H3/b7-6-,11-5+
InChIKeyBUDMBNKQSSSSOR-TUKAJDRUSA-N
MW190.29 g/mol
LogP2.41
Rot. Bonds4

About 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole

2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 143030066) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole
PubChem CID143030066
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole
SMILESC=C/C=C\C(=C/C)CC1=NCCN1C
InChIInChI=1S/C12H18N2/c1-4-6-7-11(5-2)10-12-13-8-9-14(12)3/h4-7H,1,8-10H2,2-3H3/b7-6-,11-5+
InChIKeyBUDMBNKQSSSSOR-TUKAJDRUSA-N
XLogP2.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole (CID 143030066) is 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole is C=C/C=C\C(=C/C)CC1=NCCN1C.
What is the InChIKey of 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is BUDMBNKQSSSSOR-TUKAJDRUSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-6-7-11(5-2)10-12-13-8-9-14(12)3/h4-7H,1,8-10H2,2-3H3/b7-6-,11-5+.
What are the key properties of 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole?
2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 143030066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).