3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide

C22H20N4O2S — CID 46899011

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cnc(-c3ccccc3)s2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20N4O2S/c1-15-13-26(14-25-15)19-9-8-17(10-20(19)28-2)21(27)23-11-18-12-24-22(29-18)16-6-4-3-5-7-16/h3-10,12-14H,11H2,1-2H3,(H,23,27)
InChIKeyHHIUYOBFQCAURM-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.24
Rot. Bonds6

About 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide

3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 46899011) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID46899011
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cnc(-c3ccccc3)s2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20N4O2S/c1-15-13-26(14-25-15)19-9-8-17(10-20(19)28-2)21(27)23-11-18-12-24-22(29-18)16-6-4-3-5-7-16/h3-10,12-14H,11H2,1-2H3,(H,23,27)
InChIKeyHHIUYOBFQCAURM-UHFFFAOYSA-N
XLogP4.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide (CID 46899011) is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide is COc1cc(C(=O)NCc2cnc(-c3ccccc3)s2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is HHIUYOBFQCAURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-13-26(14-25-15)19-9-8-17(10-20(19)28-2)21(27)23-11-18-12-24-22(29-18)16-6-4-3-5-7-16/h3-10,12-14H,11H2,1-2H3,(H,23,27).
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 404.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 46899011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).