5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile

C18H15N3 — CID 70629170

IUPAC5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(CC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C18H15N3/c19-12-18-20-13-16(21-18)11-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17H,11H2,(H,20,21)
InChIKeyARIZQQFYCKNQIS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.66
Rot. Bonds4

About 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile

5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile (PubChem CID 70629170) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile
PubChem CID70629170
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(CC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C18H15N3/c19-12-18-20-13-16(21-18)11-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17H,11H2,(H,20,21)
InChIKeyARIZQQFYCKNQIS-UHFFFAOYSA-N
XLogP3.66
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile (CID 70629170) is 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile is N#Cc1ncc(CC(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile?
The InChIKey is ARIZQQFYCKNQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-12-18-20-13-16(21-18)11-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17H,11H2,(H,20,21).
What are the key properties of 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile?
5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 70629170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).