2-phenyl-1-propan-2-ylimidazole

C12H14N2 — CID 12997870

IUPAC2-phenyl-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1-c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyIQGKOZLRPIRJQD-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.13
Rot. Bonds2

About 2-phenyl-1-propan-2-ylimidazole

2-phenyl-1-propan-2-ylimidazole (PubChem CID 12997870) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-phenyl-1-propan-2-ylimidazole
PubChem CID12997870
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-phenyl-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1-c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyIQGKOZLRPIRJQD-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-ylimidazole?
The IUPAC name of 2-phenyl-1-propan-2-ylimidazole (CID 12997870) is 2-phenyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-phenyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-phenyl-1-propan-2-ylimidazole is CC(C)n1ccnc1-c1ccccc1.
What is the InChIKey of 2-phenyl-1-propan-2-ylimidazole?
The InChIKey is IQGKOZLRPIRJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 2-phenyl-1-propan-2-ylimidazole?
2-phenyl-1-propan-2-ylimidazole has a molecular weight of 186.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-ylimidazole is sourced from PubChem (CID 12997870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).