1-(2-methylpropyl)-5-phenylimidazole

C13H16N2 — CID 58719875

IUPAC1-(2-methylpropyl)-5-phenylimidazole
SMILESCC(C)Cn1cncc1-c1ccccc1
InChIInChI=1S/C13H16N2/c1-11(2)9-15-10-14-8-13(15)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3
InChIKeyTZXFLVFKDRRXER-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-methylpropyl)-5-phenylimidazole

1-(2-methylpropyl)-5-phenylimidazole (PubChem CID 58719875) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-phenylimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-phenylimidazole
PubChem CID58719875
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-(2-methylpropyl)-5-phenylimidazole
SMILESCC(C)Cn1cncc1-c1ccccc1
InChIInChI=1S/C13H16N2/c1-11(2)9-15-10-14-8-13(15)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3
InChIKeyTZXFLVFKDRRXER-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-phenylimidazole?
The IUPAC name of 1-(2-methylpropyl)-5-phenylimidazole (CID 58719875) is 1-(2-methylpropyl)-5-phenylimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-5-phenylimidazole?
The canonical SMILES for 1-(2-methylpropyl)-5-phenylimidazole is CC(C)Cn1cncc1-c1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-5-phenylimidazole?
The InChIKey is TZXFLVFKDRRXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11(2)9-15-10-14-8-13(15)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-5-phenylimidazole?
1-(2-methylpropyl)-5-phenylimidazole has a molecular weight of 200.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-phenylimidazole is sourced from PubChem (CID 58719875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).