2-(1-phenylpentan-3-yl)imidazol-2-ylium

C14H17N2+ — CID 91430986

IUPAC2-(1-phenylpentan-3-yl)imidazol-2-ylium
SMILESCCC(CCc1ccccc1)[C+]1N=CC=N1
InChIInChI=1S/C14H17N2/c1-2-13(14-15-10-11-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3/q+1
InChIKeySZSIDBCCUHVNEO-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.29
Rot. Bonds5

About 2-(1-phenylpentan-3-yl)imidazol-2-ylium

2-(1-phenylpentan-3-yl)imidazol-2-ylium (PubChem CID 91430986) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(1-phenylpentan-3-yl)imidazol-2-ylium.

Molecular Properties

Compound Name2-(1-phenylpentan-3-yl)imidazol-2-ylium
PubChem CID91430986
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name2-(1-phenylpentan-3-yl)imidazol-2-ylium
SMILESCCC(CCc1ccccc1)[C+]1N=CC=N1
InChIInChI=1S/C14H17N2/c1-2-13(14-15-10-11-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3/q+1
InChIKeySZSIDBCCUHVNEO-UHFFFAOYSA-N
XLogP3.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenyldodecan-3-yl)imidazol-2-ylium
CID 91390584
2-(1-phenylhenicosan-2-yl)imidazol-2-ylium
CID 90903928
2-(4-benzyldodecan-3-yl)imidazol-2-ylium
CID 91576808
2-(3-benzylundecan-4-yl)imidazol-2-ylium
CID 90791840
2-(2-benzyl-1-phenylicosan-3-yl)imidazol-2-ylium
CID 90694425
2-(2-benzyl-1-phenyldodecan-3-yl)imidazol-2-ylium
CID 90721073
2-(7-benzylheptadecan-6-yl)imidazol-2-ylium
CID 90732564
2-(6-benzylhexacosan-7-yl)imidazol-2-ylium
CID 90761555
2-(16-benzylpentatriacontan-17-yl)imidazol-2-ylium
CID 91406870
2-(6-benzyloctadecan-7-yl)imidazol-2-ylium
CID 90994242
2-(11-benzylhenicosan-10-yl)imidazol-2-ylium
CID 91205852
2-(19-benzylhexatriacontan-18-yl)imidazol-2-ylium
CID 91589799

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpentan-3-yl)imidazol-2-ylium?
The IUPAC name of 2-(1-phenylpentan-3-yl)imidazol-2-ylium (CID 91430986) is 2-(1-phenylpentan-3-yl)imidazol-2-ylium.
What is the SMILES notation for 2-(1-phenylpentan-3-yl)imidazol-2-ylium?
The canonical SMILES for 2-(1-phenylpentan-3-yl)imidazol-2-ylium is CCC(CCc1ccccc1)[C+]1N=CC=N1.
What is the InChIKey of 2-(1-phenylpentan-3-yl)imidazol-2-ylium?
The InChIKey is SZSIDBCCUHVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2/c1-2-13(14-15-10-11-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3/q+1.
What are the key properties of 2-(1-phenylpentan-3-yl)imidazol-2-ylium?
2-(1-phenylpentan-3-yl)imidazol-2-ylium has a molecular weight of 213.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpentan-3-yl)imidazol-2-ylium is sourced from PubChem (CID 91430986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).