1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole

C23H40N2 — CID 139753087

IUPAC1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCC1(CN2C=NCC2)C=CC=CC1C
InChIInChI=1S/C23H40N2/c1-3-4-5-6-7-8-9-10-11-13-16-23(17-14-12-15-22(23)2)20-25-19-18-24-21-25/h12,14-15,17,21-22H,3-11,13,16,18-20H2,1-2H3
InChIKeyHCXJJXFFFFTSAU-UHFFFAOYSA-N
MW344.59 g/mol
LogP6.39
Rot. Bonds13

About 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole

1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole (PubChem CID 139753087) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
PubChem CID139753087
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCC1(CN2C=NCC2)C=CC=CC1C
InChIInChI=1S/C23H40N2/c1-3-4-5-6-7-8-9-10-11-13-16-23(17-14-12-15-22(23)2)20-25-19-18-24-21-25/h12,14-15,17,21-22H,3-11,13,16,18-20H2,1-2H3
InChIKeyHCXJJXFFFFTSAU-UHFFFAOYSA-N
XLogP6.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-propyloctadec-9-enyl]-4,5-dihydroimidazole
CID 67252426
1-[(Z)-2-methyloctadec-9-enyl]-4,5-dihydroimidazole
CID 70523785
1-[(Z)-4-methylicos-11-en-3-yl]-4,5-dihydroimidazole
CID 70564309
1-(4-tert-butylcyclohexa-1,3-dien-1-yl)-3-[(1R,4S)-4-tert-butylcyclohex-2-en-1-yl]-4,5-dihydroimidazol-3-ium
CID 123533546
1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine
CID 123822464
1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
CID 139753086
1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole
CID 143398967
1-[(1-Dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 160057101
1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
CID 160960492
N-[(Z,3E)-2-cyclopentyl-3-ethylidene-2-nonan-4-yloct-4-enyl]-N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 166724467
1-[(1-Dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazol-2-amine
CID 160057102
1-[(1-Dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
CID 160960493

Frequently Asked Questions

What is the IUPAC name of 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole (CID 139753087) is 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole is CCCCCCCCCCCCC1(CN2C=NCC2)C=CC=CC1C.
What is the InChIKey of 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The InChIKey is HCXJJXFFFFTSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-3-4-5-6-7-8-9-10-11-13-16-23(17-14-12-15-22(23)2)20-25-19-18-24-21-25/h12,14-15,17,21-22H,3-11,13,16,18-20H2,1-2H3.
What are the key properties of 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole has a molecular weight of 344.59 g/mol, XLogP of 6.39, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole is sourced from PubChem (CID 139753087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).