5-(2-phenylethyl)-1H-imidazole

C11H12N2 — CID 11252272

IUPAC5-(2-phenylethyl)-1H-imidazole
SMILESc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,8-9H,6-7H2,(H,12,13)
InChIKeyUFVVSLRERVDQAI-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.19
Rot. Bonds3

About 5-(2-phenylethyl)-1H-imidazole

5-(2-phenylethyl)-1H-imidazole (PubChem CID 11252272) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-1H-imidazole
PubChem CID11252272
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name5-(2-phenylethyl)-1H-imidazole
SMILESc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,8-9H,6-7H2,(H,12,13)
InChIKeyUFVVSLRERVDQAI-UHFFFAOYSA-N
XLogP2.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1H-imidazole?
The IUPAC name of 5-(2-phenylethyl)-1H-imidazole (CID 11252272) is 5-(2-phenylethyl)-1H-imidazole.
What is the SMILES notation for 5-(2-phenylethyl)-1H-imidazole?
The canonical SMILES for 5-(2-phenylethyl)-1H-imidazole is c1ccc(CCc2cnc[nH]2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-1H-imidazole?
The InChIKey is UFVVSLRERVDQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,8-9H,6-7H2,(H,12,13).
What are the key properties of 5-(2-phenylethyl)-1H-imidazole?
5-(2-phenylethyl)-1H-imidazole has a molecular weight of 172.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1H-imidazole is sourced from PubChem (CID 11252272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).