2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole

C24H40N2O — CID 11574302

IUPAC2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCOc1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C24H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-23-16-14-22(15-17-23)21-24-25-18-19-26-24/h14-17H,2-13,18-21H2,1H3,(H,25,26)
InChIKeyNZSSNJLMRQKSCH-UHFFFAOYSA-N
MW372.60 g/mol
LogP6.31
Rot. Bonds16

About 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 11574302) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID11574302
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCOc1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C24H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-23-16-14-22(15-17-23)21-24-25-18-19-26-24/h14-17H,2-13,18-21H2,1H3,(H,25,26)
InChIKeyNZSSNJLMRQKSCH-UHFFFAOYSA-N
XLogP6.31
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95450542
2-[(4-hexoxyphenyl)methyl]-1H-imidazole
CID 70637422
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
N-[(4-nonoxyphenyl)methoxy]methanamine
CID 22967514
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
(4-decoxyphenyl)methanamine
CID 55187501
(4-hexoxyphenyl)methyl-methanidyl-methylazanium
CID 59280756

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 11574302) is 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCOc1ccc(CC2=NCCN2)cc1.
What is the InChIKey of 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is NZSSNJLMRQKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-23-16-14-22(15-17-23)21-24-25-18-19-26-24/h14-17H,2-13,18-21H2,1H3,(H,25,26).
What are the key properties of 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 372.60 g/mol, XLogP of 6.31, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11574302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).