1-[1-(4-pentylphenyl)butyl]imidazole

C18H26N2 — CID 91168705

IUPAC1-[1-(4-pentylphenyl)butyl]imidazole
SMILESCCCCCc1ccc(C(CCC)n2ccnc2)cc1
InChIInChI=1S/C18H26N2/c1-3-5-6-8-16-9-11-17(12-10-16)18(7-4-2)20-14-13-19-15-20/h9-15,18H,3-8H2,1-2H3
InChIKeyVUNRCSWIQUNOMI-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.01
Rot. Bonds8

About 1-[1-(4-pentylphenyl)butyl]imidazole

1-[1-(4-pentylphenyl)butyl]imidazole (PubChem CID 91168705) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[1-(4-pentylphenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[1-(4-pentylphenyl)butyl]imidazole
PubChem CID91168705
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-[1-(4-pentylphenyl)butyl]imidazole
SMILESCCCCCc1ccc(C(CCC)n2ccnc2)cc1
InChIInChI=1S/C18H26N2/c1-3-5-6-8-16-9-11-17(12-10-16)18(7-4-2)20-14-13-19-15-20/h9-15,18H,3-8H2,1-2H3
InChIKeyVUNRCSWIQUNOMI-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.01
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-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
CID 14514380
1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
4-(1-imidazol-1-ylbutyl)benzonitrile
CID 14514362
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
1-[4-(1-imidazol-1-ylbutyl)phenyl]-2-propylhexadecan-1-one
CID 142779092
1-[1-[2-[(4-bromophenyl)methoxy]-5-pentylphenyl]butyl]imidazole
CID 91324500
propan-2-yl 4-(1-imidazol-1-ylbutyl)benzoate
CID 54557825
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
1-(1-bromobutyl)-4-hexylbenzene
CID 139813954
6-(1-imidazol-1-ylbutyl)-2,3-dihydroinden-1-one
CID 14850679
1-octadecan-4-ylimidazole
CID 174516132

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-pentylphenyl)butyl]imidazole?
The IUPAC name of 1-[1-(4-pentylphenyl)butyl]imidazole (CID 91168705) is 1-[1-(4-pentylphenyl)butyl]imidazole.
What is the SMILES notation for 1-[1-(4-pentylphenyl)butyl]imidazole?
The canonical SMILES for 1-[1-(4-pentylphenyl)butyl]imidazole is CCCCCc1ccc(C(CCC)n2ccnc2)cc1.
What is the InChIKey of 1-[1-(4-pentylphenyl)butyl]imidazole?
The InChIKey is VUNRCSWIQUNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-5-6-8-16-9-11-17(12-10-16)18(7-4-2)20-14-13-19-15-20/h9-15,18H,3-8H2,1-2H3.
What are the key properties of 1-[1-(4-pentylphenyl)butyl]imidazole?
1-[1-(4-pentylphenyl)butyl]imidazole has a molecular weight of 270.42 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-pentylphenyl)butyl]imidazole is sourced from PubChem (CID 91168705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).