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

C32H26N4S — CID 10097444

IUPAC3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline
SMILESc1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4cncs4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C32H26N4S/c1-3-7-25(8-4-1)26-13-11-24(12-14-26)21-36-22-33-18-29(36)19-35-28-15-16-30(32-20-34-23-37-32)31(17-28)27-9-5-2-6-10-27/h1-18,20,22-23,35H,19,21H2
InChIKeyBTMMLHAFPJPLRA-UHFFFAOYSA-N
MW498.66 g/mol
LogP8.00
Rot. Bonds8

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

3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline (PubChem CID 10097444) has the molecular formula C32H26N4S and a molecular weight of 498.66 g/mol. Its IUPAC name is 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound Name3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline
PubChem CID10097444
Molecular FormulaC32H26N4S
Molecular Weight498.66 g/mol
Exact Mass498.19
IUPAC Name3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline
SMILESc1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4cncs4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C32H26N4S/c1-3-7-25(8-4-1)26-13-11-24(12-14-26)21-36-22-33-18-29(36)19-35-28-15-16-30(32-20-34-23-37-32)31(17-28)27-9-5-2-6-10-27/h1-18,20,22-23,35H,19,21H2
InChIKeyBTMMLHAFPJPLRA-UHFFFAOYSA-N
XLogP8.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline?
The IUPAC name of 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline (CID 10097444) is 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline.
What is the SMILES notation for 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline?
The canonical SMILES for 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline is c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4cncs4)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline?
The InChIKey is BTMMLHAFPJPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4S/c1-3-7-25(8-4-1)26-13-11-24(12-14-26)21-36-22-33-18-29(36)19-35-28-15-16-30(32-20-34-23-37-32)31(17-28)27-9-5-2-6-10-27/h1-18,20,22-23,35H,19,21H2.
What are the key properties of 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline?
3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline has a molecular weight of 498.66 g/mol, XLogP of 8.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 10097444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).