N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C21H18N4O3S — CID 86866369

IUPACN-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1c[nH]c(=O)n1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C21H18N4O3S/c1-14-10-22-21(27)25(14)18-6-3-5-16(9-18)24-20(26)15-4-2-7-19(8-15)28-11-17-12-29-13-23-17/h2-10,12-13H,11H2,1H3,(H,22,27)(H,24,26)
InChIKeyIRKOXRPSHAPZJG-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.76
Rot. Bonds6

About N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86866369) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86866369
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1c[nH]c(=O)n1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1
InChIInChI=1S/C21H18N4O3S/c1-14-10-22-21(27)25(14)18-6-3-5-16(9-18)24-20(26)15-4-2-7-19(8-15)28-11-17-12-29-13-23-17/h2-10,12-13H,11H2,1H3,(H,22,27)(H,24,26)
InChIKeyIRKOXRPSHAPZJG-UHFFFAOYSA-N
XLogP3.76
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 55985813
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N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
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4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
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N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
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N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
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N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55732736
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
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N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86866369) is N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1c[nH]c(=O)n1-c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1.
What is the InChIKey of N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is IRKOXRPSHAPZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-10-22-21(27)25(14)18-6-3-5-16(9-18)24-20(26)15-4-2-7-19(8-15)28-11-17-12-29-13-23-17/h2-10,12-13H,11H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 406.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86866369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).