1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole

C22H38N2 — CID 160960493

IUPAC1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCC1(CN2C=NCC2)C=CC=CC1
InChIInChI=1S/C22H38N2/c1-2-3-4-5-6-7-8-9-10-12-15-22(16-13-11-14-17-22)20-24-19-18-23-21-24/h11,13-14,16,21H,2-10,12,15,17-20H2,1H3
InChIKeyYSDDMFXMQXJRDH-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.14
Rot. Bonds13

About 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole

1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole (PubChem CID 160960493) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
PubChem CID160960493
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCC1(CN2C=NCC2)C=CC=CC1
InChIInChI=1S/C22H38N2/c1-2-3-4-5-6-7-8-9-10-12-15-22(16-13-11-14-17-22)20-24-19-18-23-21-24/h11,13-14,16,21H,2-10,12,15,17-20H2,1H3
InChIKeyYSDDMFXMQXJRDH-UHFFFAOYSA-N
XLogP6.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.14
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

N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
1-heptyl-4,5-dihydroimidazole
CID 19733963
1-hexan-2-yl-2-[(1-tridecylcyclohexa-2,4-dien-1-yl)methyl]imidazole
CID 69406244
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine
CID 151759391
1-[(1-hexadecylcyclohexa-2,4-dien-1-yl)methyl]-3,5-dinitrobenzene
CID 141175624
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane
CID 173472985

Frequently Asked Questions

What is the IUPAC name of 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole (CID 160960493) is 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole is CCCCCCCCCCCCC1(CN2C=NCC2)C=CC=CC1.
What is the InChIKey of 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The InChIKey is YSDDMFXMQXJRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2/c1-2-3-4-5-6-7-8-9-10-12-15-22(16-13-11-14-17-22)20-24-19-18-23-21-24/h11,13-14,16,21H,2-10,12,15,17-20H2,1H3.
What are the key properties of 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole has a molecular weight of 330.56 g/mol, XLogP of 6.14, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole is sourced from PubChem (CID 160960493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).