5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole

C18H28N2 — CID 70187994

IUPAC5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole
SMILESC[C@H](/C=C\CCC1CCCCC1)C1(c2cnc[nH]2)CC1
InChIInChI=1S/C18H28N2/c1-15(18(11-12-18)17-13-19-14-20-17)7-5-6-10-16-8-3-2-4-9-16/h5,7,13-16H,2-4,6,8-12H2,1H3,(H,19,20)/b7-5-/t15-/m1/s1
InChIKeyRFRYDMNKSRABGP-ZQMJAJRESA-N
MW272.44 g/mol
LogP4.99
Rot. Bonds6

About 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole

5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole (PubChem CID 70187994) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole
PubChem CID70187994
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole
SMILESC[C@H](/C=C\CCC1CCCCC1)C1(c2cnc[nH]2)CC1
InChIInChI=1S/C18H28N2/c1-15(18(11-12-18)17-13-19-14-20-17)7-5-6-10-16-8-3-2-4-9-16/h5,7,13-16H,2-4,6,8-12H2,1H3,(H,19,20)/b7-5-/t15-/m1/s1
InChIKeyRFRYDMNKSRABGP-ZQMJAJRESA-N
XLogP4.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole?
The IUPAC name of 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole (CID 70187994) is 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole.
What is the SMILES notation for 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole?
The canonical SMILES for 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole is C[C@H](/C=C\CCC1CCCCC1)C1(c2cnc[nH]2)CC1.
What is the InChIKey of 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole?
The InChIKey is RFRYDMNKSRABGP-ZQMJAJRESA-N. The full InChI is InChI=1S/C18H28N2/c1-15(18(11-12-18)17-13-19-14-20-17)7-5-6-10-16-8-3-2-4-9-16/h5,7,13-16H,2-4,6,8-12H2,1H3,(H,19,20)/b7-5-/t15-/m1/s1.
What are the key properties of 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole?
5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole has a molecular weight of 272.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole is sourced from PubChem (CID 70187994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).