1,3-bis(4-methylphenyl)-2H-imidazole

C17H18N2 — CID 15936880

IUPAC1,3-bis(4-methylphenyl)-2H-imidazole
SMILESCc1ccc(N2C=CN(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C17H18N2/c1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3
InChIKeyMMQVIBBYUNTGJC-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.06
Rot. Bonds2

About 1,3-bis(4-methylphenyl)-2H-imidazole

1,3-bis(4-methylphenyl)-2H-imidazole (PubChem CID 15936880) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-2H-imidazole
PubChem CID15936880
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name1,3-bis(4-methylphenyl)-2H-imidazole
SMILESCc1ccc(N2C=CN(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C17H18N2/c1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3
InChIKeyMMQVIBBYUNTGJC-UHFFFAOYSA-N
XLogP4.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-2H-imidazole?
The IUPAC name of 1,3-bis(4-methylphenyl)-2H-imidazole (CID 15936880) is 1,3-bis(4-methylphenyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(4-methylphenyl)-2H-imidazole is Cc1ccc(N2C=CN(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-2H-imidazole?
The InChIKey is MMQVIBBYUNTGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)-2H-imidazole?
1,3-bis(4-methylphenyl)-2H-imidazole has a molecular weight of 250.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-2H-imidazole is sourced from PubChem (CID 15936880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).