1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole

C19H18N4 — CID 158259756

IUPAC1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole
SMILESCn1cnc(-c2ccccc2)c1.c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H10N2.C9H8N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-6-10-7-11-9/h2-8H,1H3;1-7H,(H,10,11)
InChIKeyGHSSMTKPFCFIJD-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.16
Rot. Bonds2

About 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole

1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole (PubChem CID 158259756) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole.

Molecular Properties

Compound Name1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole
PubChem CID158259756
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole
SMILESCn1cnc(-c2ccccc2)c1.c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H10N2.C9H8N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-6-10-7-11-9/h2-8H,1H3;1-7H,(H,10,11)
InChIKeyGHSSMTKPFCFIJD-UHFFFAOYSA-N
XLogP4.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole?
The IUPAC name of 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole (CID 158259756) is 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole.
What is the SMILES notation for 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole?
The canonical SMILES for 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole is Cn1cnc(-c2ccccc2)c1.c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole?
The InChIKey is GHSSMTKPFCFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C9H8N2/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-6-10-7-11-9/h2-8H,1H3;1-7H,(H,10,11).
What are the key properties of 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole?
1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole has a molecular weight of 302.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole is sourced from PubChem (CID 158259756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).