1-[2-(4-bromophenyl)decyl]imidazole

C19H27BrN2 — CID 3006849

IUPAC1-[2-(4-bromophenyl)decyl]imidazole
SMILESCCCCCCCCC(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C19H27BrN2/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17/h9-14,16,18H,2-8,15H2,1H3
InChIKeyPDJPOAONFVSIJG-UHFFFAOYSA-N
MW363.34 g/mol
LogP6.18
Rot. Bonds10

About 1-[2-(4-bromophenyl)decyl]imidazole

1-[2-(4-bromophenyl)decyl]imidazole (PubChem CID 3006849) has the molecular formula C19H27BrN2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)decyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)decyl]imidazole
PubChem CID3006849
Molecular FormulaC19H27BrN2
Molecular Weight363.34 g/mol
Exact Mass362.14
IUPAC Name1-[2-(4-bromophenyl)decyl]imidazole
SMILESCCCCCCCCC(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C19H27BrN2/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17/h9-14,16,18H,2-8,15H2,1H3
InChIKeyPDJPOAONFVSIJG-UHFFFAOYSA-N
XLogP6.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 56.18
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

dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole
CID 6333710
1-bromo-4-(1-bromodecan-2-yl)benzene
CID 79434996
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
1-(2-propylsulfanyldecyl)imidazole
CID 21397909
(E)-but-2-enedioic acid;1-[2-(2-chlorophenyl)octyl]imidazole
CID 5477098
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070
1-(2-heptylsulfanyl-2-phenylethyl)imidazole
CID 21402516
1-ethylimidazole;octane
CID 145297576
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-[2-(4-ethoxyphenyl)-2-heptylsulfanylethyl]imidazole
CID 21402322
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296
1-[1-(2-pentacosan-11-ylphenyl)propyl]imidazole
CID 69391423

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)decyl]imidazole?
The IUPAC name of 1-[2-(4-bromophenyl)decyl]imidazole (CID 3006849) is 1-[2-(4-bromophenyl)decyl]imidazole.
What is the SMILES notation for 1-[2-(4-bromophenyl)decyl]imidazole?
The canonical SMILES for 1-[2-(4-bromophenyl)decyl]imidazole is CCCCCCCCC(Cn1ccnc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)decyl]imidazole?
The InChIKey is PDJPOAONFVSIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17/h9-14,16,18H,2-8,15H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)decyl]imidazole?
1-[2-(4-bromophenyl)decyl]imidazole has a molecular weight of 363.34 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)decyl]imidazole is sourced from PubChem (CID 3006849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).