2-phenylimidazolidine

C9H12N2 — CID 22419383

IUPAC2-phenylimidazolidine
SMILESc1ccc(C2NCCN2)cc1
InChIInChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-11H,6-7H2
InChIKeyRMFMLHXWWNUFMA-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.88
Rot. Bonds1

About 2-phenylimidazolidine

2-phenylimidazolidine (PubChem CID 22419383) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-phenylimidazolidine.

Molecular Properties

Compound Name2-phenylimidazolidine
PubChem CID22419383
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-phenylimidazolidine
SMILESc1ccc(C2NCCN2)cc1
InChIInChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-11H,6-7H2
InChIKeyRMFMLHXWWNUFMA-UHFFFAOYSA-N
XLogP0.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylimidazolidine?
The IUPAC name of 2-phenylimidazolidine (CID 22419383) is 2-phenylimidazolidine.
What is the SMILES notation for 2-phenylimidazolidine?
The canonical SMILES for 2-phenylimidazolidine is c1ccc(C2NCCN2)cc1.
What is the InChIKey of 2-phenylimidazolidine?
The InChIKey is RMFMLHXWWNUFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-11H,6-7H2.
What are the key properties of 2-phenylimidazolidine?
2-phenylimidazolidine has a molecular weight of 148.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimidazolidine is sourced from PubChem (CID 22419383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).