4-(2-phenylethyl)-4H-imidazole

C11H12N2 — CID 146883172

IUPAC4-(2-phenylethyl)-4H-imidazole
SMILESC1=NC=NC1CCc1ccccc1
InChIInChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,8-9,11H,6-7H2
InChIKeySTZIRIMSGHXJNB-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.10
Rot. Bonds3

About 4-(2-phenylethyl)-4H-imidazole

4-(2-phenylethyl)-4H-imidazole (PubChem CID 146883172) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(2-phenylethyl)-4H-imidazole.

Molecular Properties

Compound Name4-(2-phenylethyl)-4H-imidazole
PubChem CID146883172
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-(2-phenylethyl)-4H-imidazole
SMILESC1=NC=NC1CCc1ccccc1
InChIInChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,8-9,11H,6-7H2
InChIKeySTZIRIMSGHXJNB-UHFFFAOYSA-N
XLogP2.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-4H-imidazole?
The IUPAC name of 4-(2-phenylethyl)-4H-imidazole (CID 146883172) is 4-(2-phenylethyl)-4H-imidazole.
What is the SMILES notation for 4-(2-phenylethyl)-4H-imidazole?
The canonical SMILES for 4-(2-phenylethyl)-4H-imidazole is C1=NC=NC1CCc1ccccc1.
What is the InChIKey of 4-(2-phenylethyl)-4H-imidazole?
The InChIKey is STZIRIMSGHXJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-5,8-9,11H,6-7H2.
What are the key properties of 4-(2-phenylethyl)-4H-imidazole?
4-(2-phenylethyl)-4H-imidazole has a molecular weight of 172.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-4H-imidazole is sourced from PubChem (CID 146883172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).