2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole

C17H18N2 — CID 12632114

IUPAC2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(C(CC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-3-7-14(8-4-1)16(13-17-18-11-12-19-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,19)
InChIKeyRATCNRNTKXYAHW-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.21
Rot. Bonds4

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

2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 12632114) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole
PubChem CID12632114
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(C(CC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-3-7-14(8-4-1)16(13-17-18-11-12-19-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,19)
InChIKeyRATCNRNTKXYAHW-UHFFFAOYSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole (CID 12632114) is 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole is c1ccc(C(CC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is RATCNRNTKXYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-7-14(8-4-1)16(13-17-18-11-12-19-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,19).
What are the key properties of 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole?
2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 250.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12632114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).