2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole

C17H28N2 — CID 135164457

IUPAC2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C\c1nc(C(C)CCCCCC)[nH]c1/C=C\C
InChIInChI=1S/C17H28N2/c1-5-8-9-10-13-14(4)17-18-15(11-6-2)16(19-17)12-7-3/h6-7,11-12,14H,5,8-10,13H2,1-4H3,(H,18,19)/b11-6-,12-7-
InChIKeyRERNKSRFSJKEJF-IODUZNRKSA-N
MW260.43 g/mol
LogP5.55
Rot. Bonds8

About 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole

2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole (PubChem CID 135164457) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole
PubChem CID135164457
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C\c1nc(C(C)CCCCCC)[nH]c1/C=C\C
InChIInChI=1S/C17H28N2/c1-5-8-9-10-13-14(4)17-18-15(11-6-2)16(19-17)12-7-3/h6-7,11-12,14H,5,8-10,13H2,1-4H3,(H,18,19)/b11-6-,12-7-
InChIKeyRERNKSRFSJKEJF-IODUZNRKSA-N
XLogP5.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole
CID 91357795
3-hexadecan-2-yl-4H-1,2,4-oxadiazol-5-one
CID 138558356
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine
CID 114246579
(E)-4-methylicos-2-ene
CID 166512402
2-methyl-5-octan-2-yl-1H-pyrrole
CID 166788577
dodecan-2-yl(trimethyl)silane
CID 11425039
2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
CID 142247031
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
2-methyldodecanal
CID 87784106
3-pentadecan-8-yl-4H-1,2,4-oxadiazol-5-one
CID 137233049
11,12-dimethyltricosane
CID 173430605

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole?
The IUPAC name of 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole (CID 135164457) is 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole.
What is the SMILES notation for 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole?
The canonical SMILES for 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole is C/C=C\c1nc(C(C)CCCCCC)[nH]c1/C=C\C.
What is the InChIKey of 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole?
The InChIKey is RERNKSRFSJKEJF-IODUZNRKSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-8-9-10-13-14(4)17-18-15(11-6-2)16(19-17)12-7-3/h6-7,11-12,14H,5,8-10,13H2,1-4H3,(H,18,19)/b11-6-,12-7-.
What are the key properties of 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole?
2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole has a molecular weight of 260.43 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole is sourced from PubChem (CID 135164457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).