1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole

C20H21ClN2 — CID 22291430

IUPAC1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole
SMILESCC(C)c1nc(-c2ccccc2)cn1-c1ccc(CCCl)cc1
InChIInChI=1S/C20H21ClN2/c1-15(2)20-22-19(17-6-4-3-5-7-17)14-23(20)18-10-8-16(9-11-18)12-13-21/h3-11,14-15H,12-13H2,1-2H3
InChIKeyNHXIYFWWFQSVCI-UHFFFAOYSA-N
MW324.86 g/mol
LogP5.44
Rot. Bonds5

About 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole

1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole (PubChem CID 22291430) has the molecular formula C20H21ClN2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole
PubChem CID22291430
Molecular FormulaC20H21ClN2
Molecular Weight324.86 g/mol
Exact Mass324.14
IUPAC Name1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole
SMILESCC(C)c1nc(-c2ccccc2)cn1-c1ccc(CCCl)cc1
InChIInChI=1S/C20H21ClN2/c1-15(2)20-22-19(17-6-4-3-5-7-17)14-23(20)18-10-8-16(9-11-18)12-13-21/h3-11,14-15H,12-13H2,1-2H3
InChIKeyNHXIYFWWFQSVCI-UHFFFAOYSA-N
XLogP5.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.86
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 4192
CID 4192
CID 43032
CID 43032
CID 11438771
CID 11438771
CID 745769
CID 745769
CID 10444038
CID 10444038
CID 5171
CID 5171
CID 606670
CID 606670
CID 16682272
CID 16682272
CID 1132927
CID 1132927
CID 201136
CID 201136
CID 3746343
CID 3746343
CID 5329416
CID 5329416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole?
The IUPAC name of 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole (CID 22291430) is 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole is CC(C)c1nc(-c2ccccc2)cn1-c1ccc(CCCl)cc1.
What is the InChIKey of 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole?
The InChIKey is NHXIYFWWFQSVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2/c1-15(2)20-22-19(17-6-4-3-5-7-17)14-23(20)18-10-8-16(9-11-18)12-13-21/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole?
1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole has a molecular weight of 324.86 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloroethyl)phenyl]-4-phenyl-2-propan-2-ylimidazole is sourced from PubChem (CID 22291430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).