5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole

C16H20N2 — CID 21241865

IUPAC5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole
SMILESCC/C(=C/Cc1c(C)cccc1C)c1cnc[nH]1
InChIInChI=1S/C16H20N2/c1-4-14(16-10-17-11-18-16)8-9-15-12(2)6-5-7-13(15)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)/b14-8-
InChIKeyPSTDTGMPBKHEGJ-ZSOIEALJSA-N
MW240.35 g/mol
LogP4.06
Rot. Bonds4

About 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole

5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole (PubChem CID 21241865) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole
PubChem CID21241865
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole
SMILESCC/C(=C/Cc1c(C)cccc1C)c1cnc[nH]1
InChIInChI=1S/C16H20N2/c1-4-14(16-10-17-11-18-16)8-9-15-12(2)6-5-7-13(15)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)/b14-8-
InChIKeyPSTDTGMPBKHEGJ-ZSOIEALJSA-N
XLogP4.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole
CID 163939945
5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole
CID 54135198
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
N-(2,6-diethylphenyl)-1H-imidazole-5-carboxamide
CID 110684342
ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
5-(1-ethoxyethenyl)-1H-imidazole
CID 67268300
N-[(3R,4S)-1-(2,3-dimethylphenyl)-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70097242
2-(3-chloroprop-2-enyl)-1,3-dimethylbenzene
CID 139664052
5-[(E)-but-2-en-2-yl]-1H-imidazole
CID 15643146
4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile
CID 177218638
N-naphthalen-1-yl-1H-imidazole-5-carboxamide
CID 110475305
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole?
The IUPAC name of 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole (CID 21241865) is 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole.
What is the SMILES notation for 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole?
The canonical SMILES for 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole is CC/C(=C/Cc1c(C)cccc1C)c1cnc[nH]1.
What is the InChIKey of 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole?
The InChIKey is PSTDTGMPBKHEGJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-14(16-10-17-11-18-16)8-9-15-12(2)6-5-7-13(15)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)/b14-8-.
What are the key properties of 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole?
5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole has a molecular weight of 240.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole is sourced from PubChem (CID 21241865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).