5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline

C32H27N5S — CID 44583420

IUPAC5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline
SMILESNc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2cncs2)c(-c2ccccc2)c1
InChIInChI=1S/C32H27N5S/c33-31-15-25(23-7-3-1-4-8-23)11-12-26(31)20-37-21-34-17-28(37)18-36-27-13-14-29(32-19-35-22-38-32)30(16-27)24-9-5-2-6-10-24/h1-17,19,21-22,36H,18,20,33H2
InChIKeyUMFCZJAHFBTGDQ-UHFFFAOYSA-N
MW513.67 g/mol
LogP7.58
Rot. Bonds8

About 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline

5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline (PubChem CID 44583420) has the molecular formula C32H27N5S and a molecular weight of 513.67 g/mol. Its IUPAC name is 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline
PubChem CID44583420
Molecular FormulaC32H27N5S
Molecular Weight513.67 g/mol
Exact Mass513.20
IUPAC Name5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline
SMILESNc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2cncs2)c(-c2ccccc2)c1
InChIInChI=1S/C32H27N5S/c33-31-15-25(23-7-3-1-4-8-23)11-12-26(31)20-37-21-34-17-28(37)18-36-27-13-14-29(32-19-35-22-38-32)30(16-27)24-9-5-2-6-10-24/h1-17,19,21-22,36H,18,20,33H2
InChIKeyUMFCZJAHFBTGDQ-UHFFFAOYSA-N
XLogP7.58
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.67
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline?
The IUPAC name of 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline (CID 44583420) is 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline?
The canonical SMILES for 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline is Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2cncs2)c(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline?
The InChIKey is UMFCZJAHFBTGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5S/c33-31-15-25(23-7-3-1-4-8-23)11-12-26(31)20-37-21-34-17-28(37)18-36-27-13-14-29(32-19-35-22-38-32)30(16-27)24-9-5-2-6-10-24/h1-17,19,21-22,36H,18,20,33H2.
What are the key properties of 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline?
5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline has a molecular weight of 513.67 g/mol, XLogP of 7.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[5-[[3-phenyl-4-(1,3-thiazol-5-yl)anilino]methyl]imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 44583420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).