2-methyl-1-(2-phenylethenyl)imidazole

C12H12N2 — CID 603453

IUPAC2-methyl-1-(2-phenylethenyl)imidazole
SMILESCc1nccn1C=Cc1ccccc1
InChIInChI=1S/C12H12N2/c1-11-13-8-10-14(11)9-7-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyOHHMCGCFDRWIMB-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-1-(2-phenylethenyl)imidazole

2-methyl-1-(2-phenylethenyl)imidazole (PubChem CID 603453) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethenyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(2-phenylethenyl)imidazole
PubChem CID603453
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-methyl-1-(2-phenylethenyl)imidazole
SMILESCc1nccn1C=Cc1ccccc1
InChIInChI=1S/C12H12N2/c1-11-13-8-10-14(11)9-7-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyOHHMCGCFDRWIMB-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethenyl)imidazole?
The IUPAC name of 2-methyl-1-(2-phenylethenyl)imidazole (CID 603453) is 2-methyl-1-(2-phenylethenyl)imidazole.
What is the SMILES notation for 2-methyl-1-(2-phenylethenyl)imidazole?
The canonical SMILES for 2-methyl-1-(2-phenylethenyl)imidazole is Cc1nccn1C=Cc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylethenyl)imidazole?
The InChIKey is OHHMCGCFDRWIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-11-13-8-10-14(11)9-7-12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-methyl-1-(2-phenylethenyl)imidazole?
2-methyl-1-(2-phenylethenyl)imidazole has a molecular weight of 184.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethenyl)imidazole is sourced from PubChem (CID 603453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).