1-(8-phenyloctyl)imidazole

C17H24N2 — CID 102394184

IUPAC1-(8-phenyloctyl)imidazole
SMILESc1ccc(CCCCCCCCn2ccnc2)cc1
InChIInChI=1S/C17H24N2/c1(2-4-9-14-19-15-13-18-16-19)3-6-10-17-11-7-5-8-12-17/h5,7-8,11-13,15-16H,1-4,6,9-10,14H2
InChIKeyRJOPLMWRZIJXRU-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.47
Rot. Bonds9

About 1-(8-phenyloctyl)imidazole

1-(8-phenyloctyl)imidazole (PubChem CID 102394184) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(8-phenyloctyl)imidazole.

Molecular Properties

Compound Name1-(8-phenyloctyl)imidazole
PubChem CID102394184
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(8-phenyloctyl)imidazole
SMILESc1ccc(CCCCCCCCn2ccnc2)cc1
InChIInChI=1S/C17H24N2/c1(2-4-9-14-19-15-13-18-16-19)3-6-10-17-11-7-5-8-12-17/h5,7-8,11-13,15-16H,1-4,6,9-10,14H2
InChIKeyRJOPLMWRZIJXRU-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.47
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-[6-(4-bromophenyl)hexyl]imidazole
CID 141475213
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CID 57391442
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135289
1-(2-imidazol-1-ylethyl)-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198866

Frequently Asked Questions

What is the IUPAC name of 1-(8-phenyloctyl)imidazole?
The IUPAC name of 1-(8-phenyloctyl)imidazole (CID 102394184) is 1-(8-phenyloctyl)imidazole.
What is the SMILES notation for 1-(8-phenyloctyl)imidazole?
The canonical SMILES for 1-(8-phenyloctyl)imidazole is c1ccc(CCCCCCCCn2ccnc2)cc1.
What is the InChIKey of 1-(8-phenyloctyl)imidazole?
The InChIKey is RJOPLMWRZIJXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1(2-4-9-14-19-15-13-18-16-19)3-6-10-17-11-7-5-8-12-17/h5,7-8,11-13,15-16H,1-4,6,9-10,14H2.
What are the key properties of 1-(8-phenyloctyl)imidazole?
1-(8-phenyloctyl)imidazole has a molecular weight of 256.39 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-phenyloctyl)imidazole is sourced from PubChem (CID 102394184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).