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

C26H27N3 — CID 3928516

IUPAC1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
SMILESCC(C)c1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1
InChIInChI=1S/C26H27N3/c1-19(2)21-11-9-20(10-12-21)17-27-26-28-18-25(29(26)3)24-15-13-23(14-16-24)22-7-5-4-6-8-22/h4-16,18-19H,17H2,1-3H3,(H,27,28)
InChIKeyTUJCVENZQMIXEO-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.49
Rot. Bonds6

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

1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine (PubChem CID 3928516) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
PubChem CID3928516
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC Name1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
SMILESCC(C)c1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1
InChIInChI=1S/C26H27N3/c1-19(2)21-11-9-20(10-12-21)17-27-26-28-18-25(29(26)3)24-15-13-23(14-16-24)22-7-5-4-6-8-22/h4-16,18-19H,17H2,1-3H3,(H,27,28)
InChIKeyTUJCVENZQMIXEO-UHFFFAOYSA-N
XLogP6.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.49
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-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine (CID 3928516) is 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine is CC(C)c1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1.
What is the InChIKey of 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The InChIKey is TUJCVENZQMIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-19(2)21-11-9-20(10-12-21)17-27-26-28-18-25(29(26)3)24-15-13-23(14-16-24)22-7-5-4-6-8-22/h4-16,18-19H,17H2,1-3H3,(H,27,28).
What are the key properties of 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine has a molecular weight of 381.52 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 3928516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).