4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole

C25H40N2O — CID 59109639

IUPAC4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCc1[nH]c(C)nc1-c1ccc(OC)cc1
InChIInChI=1S/C25H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-25(27-21(2)26-24)22-17-19-23(28-3)20-18-22/h17-20H,4-16H2,1-3H3,(H,26,27)
InChIKeySJMJQBJHVBFEFK-UHFFFAOYSA-N
MW384.61 g/mol
LogP7.64
Rot. Bonds15

About 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole

4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole (PubChem CID 59109639) has the molecular formula C25H40N2O and a molecular weight of 384.61 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole
PubChem CID59109639
Molecular FormulaC25H40N2O
Molecular Weight384.61 g/mol
Exact Mass384.31
IUPAC Name4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole
SMILESCCCCCCCCCCCCCCc1[nH]c(C)nc1-c1ccc(OC)cc1
InChIInChI=1S/C25H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-25(27-21(2)26-24)22-17-19-23(28-3)20-18-22/h17-20H,4-16H2,1-3H3,(H,26,27)
InChIKeySJMJQBJHVBFEFK-UHFFFAOYSA-N
XLogP7.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 57426288
5-chloro-4-(4-methoxyphenyl)-2-methyl-1H-imidazole
CID 54002462
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825348
4-(5-ethyl-2-methyl-1H-imidazol-4-yl)phenol
CID 105454397
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 139241108
tris(4-methoxyphenyl)-octylboranuide
CID 18400265
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-dodecyl-5-(4-methoxyphenyl)dithiole-3-thione
CID 139658098
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
CID 68762162

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole (CID 59109639) is 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole is CCCCCCCCCCCCCCc1[nH]c(C)nc1-c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole?
The InChIKey is SJMJQBJHVBFEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-25(27-21(2)26-24)22-17-19-23(28-3)20-18-22/h17-20H,4-16H2,1-3H3,(H,26,27).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole?
4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole has a molecular weight of 384.61 g/mol, XLogP of 7.64, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole is sourced from PubChem (CID 59109639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).