1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione

C21H26N4S — CID 1215321

IUPAC1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione
SMILESCc1cccc(C)c1NC1=NC(=S)N(c2ccc(N(C)C)cc2)C1(C)C
InChIInChI=1S/C21H26N4S/c1-14-8-7-9-15(2)18(14)22-19-21(3,4)25(20(26)23-19)17-12-10-16(11-13-17)24(5)6/h7-13H,1-6H3,(H,22,23,26)
InChIKeyHHXVMVHSOQNTJU-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.76
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione

1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione (PubChem CID 1215321) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione
PubChem CID1215321
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione
SMILESCc1cccc(C)c1NC1=NC(=S)N(c2ccc(N(C)C)cc2)C1(C)C
InChIInChI=1S/C21H26N4S/c1-14-8-7-9-15(2)18(14)22-19-21(3,4)25(20(26)23-19)17-12-10-16(11-13-17)24(5)6/h7-13H,1-6H3,(H,22,23,26)
InChIKeyHHXVMVHSOQNTJU-UHFFFAOYSA-N
XLogP4.76
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione (CID 1215321) is 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione is Cc1cccc(C)c1NC1=NC(=S)N(c2ccc(N(C)C)cc2)C1(C)C.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione?
The InChIKey is HHXVMVHSOQNTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-14-8-7-9-15(2)18(14)22-19-21(3,4)25(20(26)23-19)17-12-10-16(11-13-17)24(5)6/h7-13H,1-6H3,(H,22,23,26).
What are the key properties of 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione?
1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione has a molecular weight of 366.53 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-4-(2,6-dimethylanilino)-5,5-dimethylimidazole-2-thione is sourced from PubChem (CID 1215321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).