4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

C21H18N4OS — CID 25341949

IUPAC4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)cc3)s2)cc1
InChIInChI=1S/C21H18N4OS/c1-15-2-4-16(5-3-15)12-19-13-23-21(27-19)24-20(26)17-6-8-18(9-7-17)25-11-10-22-14-25/h2-11,13-14H,12H2,1H3,(H,23,24,26)
InChIKeyWOBDEFQOOZTCTK-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.48
Rot. Bonds5

About 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 25341949) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID25341949
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)cc3)s2)cc1
InChIInChI=1S/C21H18N4OS/c1-15-2-4-16(5-3-15)12-19-13-23-21(27-19)24-20(26)17-6-8-18(9-7-17)25-11-10-22-14-25/h2-11,13-14H,12H2,1H3,(H,23,24,26)
InChIKeyWOBDEFQOOZTCTK-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 25341949) is 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)cc3)s2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WOBDEFQOOZTCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-2-4-16(5-3-15)12-19-13-23-21(27-19)24-20(26)17-6-8-18(9-7-17)25-11-10-22-14-25/h2-11,13-14H,12H2,1H3,(H,23,24,26).
What are the key properties of 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 25341949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).