3-trityl-1,2-dihydroimidazole

C22H20N2 — CID 154182196

IUPAC3-trityl-1,2-dihydroimidazole
SMILESC1=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C22H20N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,23H,18H2
InChIKeyDKXYDXLPJCZAOW-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.31
Rot. Bonds4

About 3-trityl-1,2-dihydroimidazole

3-trityl-1,2-dihydroimidazole (PubChem CID 154182196) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-trityl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-trityl-1,2-dihydroimidazole
PubChem CID154182196
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name3-trityl-1,2-dihydroimidazole
SMILESC1=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C22H20N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,23H,18H2
InChIKeyDKXYDXLPJCZAOW-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trityl-1,2-dihydroimidazole?
The IUPAC name of 3-trityl-1,2-dihydroimidazole (CID 154182196) is 3-trityl-1,2-dihydroimidazole.
What is the SMILES notation for 3-trityl-1,2-dihydroimidazole?
The canonical SMILES for 3-trityl-1,2-dihydroimidazole is C1=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CN1.
What is the InChIKey of 3-trityl-1,2-dihydroimidazole?
The InChIKey is DKXYDXLPJCZAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,23H,18H2.
What are the key properties of 3-trityl-1,2-dihydroimidazole?
3-trityl-1,2-dihydroimidazole has a molecular weight of 312.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trityl-1,2-dihydroimidazole is sourced from PubChem (CID 154182196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).