4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide

C20H14N4O3S — CID 57403566

IUPAC4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3nccs3)[nH]2)cc1
InChIInChI=1S/C20H14N4O3S/c21-18(25)11-1-3-12(4-2-11)19-23-16(17(24-19)20-22-7-8-28-20)13-5-6-14-15(9-13)27-10-26-14/h1-9H,10H2,(H2,21,25)(H,23,24)
InChIKeyKPLOBSYPRROJOR-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.69
Rot. Bonds4

About 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide

4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide (PubChem CID 57403566) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide
PubChem CID57403566
Molecular FormulaC20H14N4O3S
Molecular Weight390.42 g/mol
Exact Mass390.08
IUPAC Name4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3nccs3)[nH]2)cc1
InChIInChI=1S/C20H14N4O3S/c21-18(25)11-1-3-12(4-2-11)19-23-16(17(24-19)20-22-7-8-28-20)13-5-6-14-15(9-13)27-10-26-14/h1-9H,10H2,(H2,21,25)(H,23,24)
InChIKeyKPLOBSYPRROJOR-UHFFFAOYSA-N
XLogP3.69
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide?
The IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide (CID 57403566) is 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide?
The canonical SMILES for 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide is NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3nccs3)[nH]2)cc1.
What is the InChIKey of 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide?
The InChIKey is KPLOBSYPRROJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3S/c21-18(25)11-1-3-12(4-2-11)19-23-16(17(24-19)20-22-7-8-28-20)13-5-6-14-15(9-13)27-10-26-14/h1-9H,10H2,(H2,21,25)(H,23,24).
What are the key properties of 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide?
4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide has a molecular weight of 390.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzodioxol-5-yl)-5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 57403566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).