2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium

C15H14ClN2+ — CID 54523952

IUPAC2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium
SMILESClC1=[N+](c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C15H14ClN2/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyYRUHTZRRNUVQJS-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.45
Rot. Bonds2

About 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium

2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium (PubChem CID 54523952) has the molecular formula C15H14ClN2+ and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium
PubChem CID54523952
Molecular FormulaC15H14ClN2+
Molecular Weight257.74 g/mol
Exact Mass257.08
IUPAC Name2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium
SMILESClC1=[N+](c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C15H14ClN2/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyYRUHTZRRNUVQJS-UHFFFAOYSA-N
XLogP3.45
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium (CID 54523952) is 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium is ClC1=[N+](c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium?
The InChIKey is YRUHTZRRNUVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN2/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10H,11-12H2/q+1.
What are the key properties of 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium?
2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium has a molecular weight of 257.74 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-diphenyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 54523952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).