4-benzyl-1-(4-propan-2-ylphenyl)imidazole

C19H20N2 — CID 156877857

IUPAC4-benzyl-1-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccc(-n2cnc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H20N2/c1-15(2)17-8-10-19(11-9-17)21-13-18(20-14-21)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
InChIKeyPAFFXWYHHCWFLE-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.59
Rot. Bonds4

About 4-benzyl-1-(4-propan-2-ylphenyl)imidazole

4-benzyl-1-(4-propan-2-ylphenyl)imidazole (PubChem CID 156877857) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-benzyl-1-(4-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name4-benzyl-1-(4-propan-2-ylphenyl)imidazole
PubChem CID156877857
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4-benzyl-1-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccc(-n2cnc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H20N2/c1-15(2)17-8-10-19(11-9-17)21-13-18(20-14-21)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
InChIKeyPAFFXWYHHCWFLE-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-propan-2-ylphenyl)imidazole?
The IUPAC name of 4-benzyl-1-(4-propan-2-ylphenyl)imidazole (CID 156877857) is 4-benzyl-1-(4-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 4-benzyl-1-(4-propan-2-ylphenyl)imidazole?
The canonical SMILES for 4-benzyl-1-(4-propan-2-ylphenyl)imidazole is CC(C)c1ccc(-n2cnc(Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-benzyl-1-(4-propan-2-ylphenyl)imidazole?
The InChIKey is PAFFXWYHHCWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-15(2)17-8-10-19(11-9-17)21-13-18(20-14-21)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3.
What are the key properties of 4-benzyl-1-(4-propan-2-ylphenyl)imidazole?
4-benzyl-1-(4-propan-2-ylphenyl)imidazole has a molecular weight of 276.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 156877857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).