5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole

C18H28N2 — CID 70189592

IUPAC5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole
SMILESC(=C\C(Cc1cnc[nH]1)C1CC1)\CCC1CCCCC1
InChIInChI=1S/C18H28N2/c1-2-6-15(7-3-1)8-4-5-9-17(16-10-11-16)12-18-13-19-14-20-18/h5,9,13-17H,1-4,6-8,10-12H2,(H,19,20)/b9-5-
InChIKeyBFIZYPQIMSCSIZ-UITAMQMPSA-N
MW272.44 g/mol
LogP4.90
Rot. Bonds7

About 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole

5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole (PubChem CID 70189592) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole
PubChem CID70189592
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole
SMILESC(=C\C(Cc1cnc[nH]1)C1CC1)\CCC1CCCCC1
InChIInChI=1S/C18H28N2/c1-2-6-15(7-3-1)8-4-5-9-17(16-10-11-16)12-18-13-19-14-20-18/h5,9,13-17H,1-4,6-8,10-12H2,(H,19,20)/b9-5-
InChIKeyBFIZYPQIMSCSIZ-UITAMQMPSA-N
XLogP4.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(Z,2R)-6-cyclohexylhex-3-en-2-yl]cyclopropyl]-1H-imidazole
CID 70187994
4-[(E)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1-tritylimidazole
CID 19593147
4-[(E,2S)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1-tritylimidazole
CID 22875205
2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115690231
(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
(2S)-2-amino-N-[(2S,3R,4S)-4-cyclobutyl-1-cyclohexyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 54482293
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 106202649
2-[(2-cyclobutylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864176
(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894418
(2S)-2-[[2-(cyclohexylmethyl)-4-oxo-4-thiophen-2-ylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 70052178
(2R)-2-[[2-(cyclohexylmethyl)-4-oxo-4-thiophen-2-ylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 70052187
2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 22879321

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole?
The IUPAC name of 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole (CID 70189592) is 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole.
What is the SMILES notation for 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole?
The canonical SMILES for 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole is C(=C\C(Cc1cnc[nH]1)C1CC1)\CCC1CCCCC1.
What is the InChIKey of 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole?
The InChIKey is BFIZYPQIMSCSIZ-UITAMQMPSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-6-15(7-3-1)8-4-5-9-17(16-10-11-16)12-18-13-19-14-20-18/h5,9,13-17H,1-4,6-8,10-12H2,(H,19,20)/b9-5-.
What are the key properties of 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole?
5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole has a molecular weight of 272.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-6-cyclohexyl-2-cyclopropylhex-3-enyl]-1H-imidazole is sourced from PubChem (CID 70189592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).