2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen

C11H18N2 — CID 143002404

IUPAC2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen
SMILESC=C/C(=C\C(=C)CC)C1=NCCN1.[H][H]
InChIInChI=1S/C11H16N2.H2/c1-4-9(3)8-10(5-2)11-12-6-7-13-11;/h5,8H,2-4,6-7H2,1H3,(H,12,13);1H/b10-8+;
InChIKeyXAUINYPGYZYCOV-VRTOBVRTSA-N
MW178.28 g/mol
LogP2.31
Rot. Bonds4

About 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen

2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen (PubChem CID 143002404) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen.

Molecular Properties

Compound Name2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen
PubChem CID143002404
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen
SMILESC=C/C(=C\C(=C)CC)C1=NCCN1.[H][H]
InChIInChI=1S/C11H16N2.H2/c1-4-9(3)8-10(5-2)11-12-6-7-13-11;/h5,8H,2-4,6-7H2,1H3,(H,12,13);1H/b10-8+;
InChIKeyXAUINYPGYZYCOV-VRTOBVRTSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-pent-1-enyl]-4,5-dihydro-1H-imidazole
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2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4,5-dihydro-1H-imidazole
CID 20476312
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772
2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 58755520
2-methyl-N'-propan-2-yl-3a,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 58856209
ethane-1,2-diamine;2-tetratriaconta-14,16,18-trien-17-yl-4,5-dihydro-1H-imidazole
CID 88831703
4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
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2-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89220153

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
The IUPAC name of 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen (CID 143002404) is 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen.
What is the SMILES notation for 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
The canonical SMILES for 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen is C=C/C(=C\C(=C)CC)C1=NCCN1.[H][H].
What is the InChIKey of 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
The InChIKey is XAUINYPGYZYCOV-VRTOBVRTSA-N. The full InChI is InChI=1S/C11H16N2.H2/c1-4-9(3)8-10(5-2)11-12-6-7-13-11;/h5,8H,2-4,6-7H2,1H3,(H,12,13);1H/b10-8+;.
What are the key properties of 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen has a molecular weight of 178.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen is sourced from PubChem (CID 143002404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).