N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine

C21H25N3 — CID 174341735

IUPACN-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine
SMILESCCc1cccc(CC)c1CNc1cnc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C21H25N3/c1-4-16-7-6-8-17(5-2)19(16)13-22-20-14-23-21(24-20)18-11-9-15(3)10-12-18/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)
InChIKeyGUICEVMPLOQOFR-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.12
Rot. Bonds6

About N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine

N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine (PubChem CID 174341735) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine
PubChem CID174341735
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine
SMILESCCc1cccc(CC)c1CNc1cnc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C21H25N3/c1-4-16-7-6-8-17(5-2)19(16)13-22-20-14-23-21(24-20)18-11-9-15(3)10-12-18/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)
InChIKeyGUICEVMPLOQOFR-UHFFFAOYSA-N
XLogP5.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine?
The IUPAC name of N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine (CID 174341735) is N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine.
What is the SMILES notation for N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine?
The canonical SMILES for N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine is CCc1cccc(CC)c1CNc1cnc(-c2ccc(C)cc2)[nH]1.
What is the InChIKey of N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine?
The InChIKey is GUICEVMPLOQOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-4-16-7-6-8-17(5-2)19(16)13-22-20-14-23-21(24-20)18-11-9-15(3)10-12-18/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24).
What are the key properties of N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine?
N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine has a molecular weight of 319.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine is sourced from PubChem (CID 174341735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).