5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole

C16H15ClN2 — CID 14975727

IUPAC5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole
SMILESClCC1NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C16H15ClN2/c17-11-14-15(12-7-3-1-4-8-12)19-16(18-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,18,19)
InChIKeyCAJZJFCTCSHFBX-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.39
Rot. Bonds3

About 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole

5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 14975727) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID14975727
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole
SMILESClCC1NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C16H15ClN2/c17-11-14-15(12-7-3-1-4-8-12)19-16(18-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,18,19)
InChIKeyCAJZJFCTCSHFBX-UHFFFAOYSA-N
XLogP3.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole (CID 14975727) is 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole is ClCC1NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is CAJZJFCTCSHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c17-11-14-15(12-7-3-1-4-8-12)19-16(18-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,18,19).
What are the key properties of 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole?
5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 270.76 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,4-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 14975727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).