N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

C20H16N4O3S — CID 1150224

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N4O3S/c25-19(22-13-5-6-16-17(9-13)27-8-7-26-16)11-24-15-4-2-1-3-14(15)23-20(24)18-10-21-12-28-18/h1-6,9-10,12H,7-8,11H2,(H,22,25)
InChIKeyDREGWNHSACYPPM-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.57
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (PubChem CID 1150224) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
PubChem CID1150224
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N4O3S/c25-19(22-13-5-6-16-17(9-13)27-8-7-26-16)11-24-15-4-2-1-3-14(15)23-20(24)18-10-21-12-28-18/h1-6,9-10,12H,7-8,11H2,(H,22,25)
InChIKeyDREGWNHSACYPPM-UHFFFAOYSA-N
XLogP3.57
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[5,6-Dimethoxy-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 56595785
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CID 6618978
1-[(2R)-4-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726174
1-(3,4-Dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-(1,3-thiazol-2-yl)urea
CID 155564634
N-(3-(1H-imidazol-1-yl)propyl)-5,6-dimethoxybenzo[d]thiazol-2-amine
CID 6539206
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 665619
N-(3-methoxyphenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 1080280
2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1432458
2-[5-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 1432747
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetamide
CID 3231100
N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 3286574
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 4447336

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (CID 1150224) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The InChIKey is DREGWNHSACYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-19(22-13-5-6-16-17(9-13)27-8-7-26-16)11-24-15-4-2-1-3-14(15)23-20(24)18-10-21-12-28-18/h1-6,9-10,12H,7-8,11H2,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1150224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).