1-methyl-4-phenylimidazole

C10H10N2 — CID 2748782

IUPAC1-methyl-4-phenylimidazole
SMILESCn1cnc(-c2ccccc2)c1
InChIInChI=1S/C10H10N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyKTGYDKACJATEDM-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.09
Rot. Bonds1

About 1-methyl-4-phenylimidazole

1-methyl-4-phenylimidazole (PubChem CID 2748782) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-4-phenylimidazole.

Molecular Properties

Compound Name1-methyl-4-phenylimidazole
PubChem CID2748782
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-methyl-4-phenylimidazole
SMILESCn1cnc(-c2ccccc2)c1
InChIInChI=1S/C10H10N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyKTGYDKACJATEDM-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylimidazole?
The IUPAC name of 1-methyl-4-phenylimidazole (CID 2748782) is 1-methyl-4-phenylimidazole.
What is the SMILES notation for 1-methyl-4-phenylimidazole?
The canonical SMILES for 1-methyl-4-phenylimidazole is Cn1cnc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-4-phenylimidazole?
The InChIKey is KTGYDKACJATEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-methyl-4-phenylimidazole?
1-methyl-4-phenylimidazole has a molecular weight of 158.20 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylimidazole is sourced from PubChem (CID 2748782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).