1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine

C21H25N3 — CID 3877542

IUPAC1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3ccc(C(C)C)cc3)n2C)cc1
InChIInChI=1S/C21H25N3/c1-15(2)18-11-7-17(8-12-18)13-22-21-23-14-20(24(21)4)19-9-5-16(3)6-10-19/h5-12,14-15H,13H2,1-4H3,(H,22,23)
InChIKeyQPQJOLKOTGSHLO-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.13
Rot. Bonds5

About 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine

1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine (PubChem CID 3877542) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
PubChem CID3877542
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3ccc(C(C)C)cc3)n2C)cc1
InChIInChI=1S/C21H25N3/c1-15(2)18-11-7-17(8-12-18)13-22-21-23-14-20(24(21)4)19-9-5-16(3)6-10-19/h5-12,14-15H,13H2,1-4H3,(H,22,23)
InChIKeyQPQJOLKOTGSHLO-UHFFFAOYSA-N
XLogP5.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine (CID 3877542) is 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine is Cc1ccc(-c2cnc(NCc3ccc(C(C)C)cc3)n2C)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The InChIKey is QPQJOLKOTGSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-15(2)18-11-7-17(8-12-18)13-22-21-23-14-20(24(21)4)19-9-5-16(3)6-10-19/h5-12,14-15H,13H2,1-4H3,(H,22,23).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine has a molecular weight of 319.45 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 3877542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).