N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C20H16N4O3S — CID 9291962

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H16N4O3S/c25-19(21-8-13-5-6-17-18(7-13)27-12-26-17)9-24-16-4-2-1-3-14(16)23-20(24)15-10-28-11-22-15/h1-7,10-11H,8-9,12H2,(H,21,25)
InChIKeyWSVBLEZOQLBRPA-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.20
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 9291962) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID9291962
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H16N4O3S/c25-19(21-8-13-5-6-17-18(7-13)27-12-26-17)9-24-16-4-2-1-3-14(16)23-20(24)15-10-28-11-22-15/h1-7,10-11H,8-9,12H2,(H,21,25)
InChIKeyWSVBLEZOQLBRPA-UHFFFAOYSA-N
XLogP3.20
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 41388137
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide
CID 30867751
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 71899076
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 40511262
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324360
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518052
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325057
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 99776473
N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 40718245
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769406

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 9291962) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is WSVBLEZOQLBRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-19(21-8-13-5-6-17-18(7-13)27-12-26-17)9-24-16-4-2-1-3-14(16)23-20(24)15-10-28-11-22-15/h1-7,10-11H,8-9,12H2,(H,21,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 9291962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).