2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole

C22H34N2 — CID 169211181

IUPAC2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole
SMILESC=C/C=C(\C=C/C)c1cn(CCC)c(C(C)CC2CCCCC2)n1
InChIInChI=1S/C22H34N2/c1-5-11-20(12-6-2)21-17-24(15-7-3)22(23-21)18(4)16-19-13-9-8-10-14-19/h5-6,11-12,17-19H,1,7-10,13-16H2,2-4H3/b12-6-,20-11+
InChIKeySMPYJDOVYYDRHS-BLRQKTNUSA-N
MW326.53 g/mol
LogP6.51
Rot. Bonds8

About 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole

2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole (PubChem CID 169211181) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole.

Molecular Properties

Compound Name2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole
PubChem CID169211181
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole
SMILESC=C/C=C(\C=C/C)c1cn(CCC)c(C(C)CC2CCCCC2)n1
InChIInChI=1S/C22H34N2/c1-5-11-20(12-6-2)21-17-24(15-7-3)22(23-21)18(4)16-19-13-9-8-10-14-19/h5-6,11-12,17-19H,1,7-10,13-16H2,2-4H3/b12-6-,20-11+
InChIKeySMPYJDOVYYDRHS-BLRQKTNUSA-N
XLogP6.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.51
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-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole?
The IUPAC name of 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole (CID 169211181) is 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole.
What is the SMILES notation for 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole?
The canonical SMILES for 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole is C=C/C=C(\C=C/C)c1cn(CCC)c(C(C)CC2CCCCC2)n1.
What is the InChIKey of 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole?
The InChIKey is SMPYJDOVYYDRHS-BLRQKTNUSA-N. The full InChI is InChI=1S/C22H34N2/c1-5-11-20(12-6-2)21-17-24(15-7-3)22(23-21)18(4)16-19-13-9-8-10-14-19/h5-6,11-12,17-19H,1,7-10,13-16H2,2-4H3/b12-6-,20-11+.
What are the key properties of 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole?
2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole has a molecular weight of 326.53 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole is sourced from PubChem (CID 169211181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).