1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline

C20H21N3 — CID 174807258

IUPAC1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline
SMILESCc1ccc(N2C=CN(C)C2)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C11H14N2.C9H7N/c1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;1-2-6-9-8(4-1)5-3-7-10-9/h3-8H,9H2,1-2H3;1-7H
InChIKeyXCACRABZJMODSF-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.41
Rot. Bonds1

About 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline

1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline (PubChem CID 174807258) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline
PubChem CID174807258
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline
SMILESCc1ccc(N2C=CN(C)C2)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C11H14N2.C9H7N/c1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;1-2-6-9-8(4-1)5-3-7-10-9/h3-8H,9H2,1-2H3;1-7H
InChIKeyXCACRABZJMODSF-UHFFFAOYSA-N
XLogP4.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline?
The IUPAC name of 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline (CID 174807258) is 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline is Cc1ccc(N2C=CN(C)C2)cc1.c1ccc2ncccc2c1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline?
The InChIKey is XCACRABZJMODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C9H7N/c1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;1-2-6-9-8(4-1)5-3-7-10-9/h3-8H,9H2,1-2H3;1-7H.
What are the key properties of 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline?
1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline has a molecular weight of 303.41 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)-2H-imidazole;quinoline is sourced from PubChem (CID 174807258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).