1-(4-tert-butylphenyl)-4-phenylimidazole

C19H20N2 — CID 174700905

IUPAC1-(4-tert-butylphenyl)-4-phenylimidazole
SMILESCC(C)(C)c1ccc(-n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H20N2/c1-19(2,3)16-9-11-17(12-10-16)21-13-18(20-14-21)15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyNSAZPQNBRITMBD-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.84
Rot. Bonds2

About 1-(4-tert-butylphenyl)-4-phenylimidazole

1-(4-tert-butylphenyl)-4-phenylimidazole (PubChem CID 174700905) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-phenylimidazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-phenylimidazole
PubChem CID174700905
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(4-tert-butylphenyl)-4-phenylimidazole
SMILESCC(C)(C)c1ccc(-n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H20N2/c1-19(2,3)16-9-11-17(12-10-16)21-13-18(20-14-21)15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyNSAZPQNBRITMBD-UHFFFAOYSA-N
XLogP4.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-phenylimidazole?
The IUPAC name of 1-(4-tert-butylphenyl)-4-phenylimidazole (CID 174700905) is 1-(4-tert-butylphenyl)-4-phenylimidazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-phenylimidazole?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-phenylimidazole is CC(C)(C)c1ccc(-n2cnc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-phenylimidazole?
The InChIKey is NSAZPQNBRITMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-19(2,3)16-9-11-17(12-10-16)21-13-18(20-14-21)15-7-5-4-6-8-15/h4-14H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-phenylimidazole?
1-(4-tert-butylphenyl)-4-phenylimidazole has a molecular weight of 276.38 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-phenylimidazole is sourced from PubChem (CID 174700905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).