1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole

C17H28N2 — CID 70489519

IUPAC1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole
SMILESCCC/C=C(/CCn1ccnc1)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-2-3-7-17(10-12-19-13-11-18-15-19)14-16-8-5-4-6-9-16/h7,11,13,15-16H,2-6,8-10,12,14H2,1H3/b17-7-
InChIKeyVCJPOLNCCYYBJS-IDUWFGFVSA-N
MW260.42 g/mol
LogP4.97
Rot. Bonds7

About 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole

1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole (PubChem CID 70489519) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole
PubChem CID70489519
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole
SMILESCCC/C=C(/CCn1ccnc1)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-2-3-7-17(10-12-19-13-11-18-15-19)14-16-8-5-4-6-9-16/h7,11,13,15-16H,2-6,8-10,12,14H2,1H3/b17-7-
InChIKeyVCJPOLNCCYYBJS-IDUWFGFVSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole?
The IUPAC name of 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole (CID 70489519) is 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole?
The canonical SMILES for 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole is CCC/C=C(/CCn1ccnc1)CC1CCCCC1.
What is the InChIKey of 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole?
The InChIKey is VCJPOLNCCYYBJS-IDUWFGFVSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-7-17(10-12-19-13-11-18-15-19)14-16-8-5-4-6-9-16/h7,11,13,15-16H,2-6,8-10,12,14H2,1H3/b17-7-.
What are the key properties of 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole?
1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole has a molecular weight of 260.42 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole is sourced from PubChem (CID 70489519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).