1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone

C19H18N2O4S — CID 4883677

IUPAC1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
SMILESCOCCn1c(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C19H18N2O4S/c1-23-9-8-21-15-5-3-2-4-14(15)20-19(21)26-11-16(22)13-6-7-17-18(10-13)25-12-24-17/h2-7,10H,8-9,11-12H2,1H3
InChIKeyCUYYGEILKXHCFK-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.39
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone

1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone (PubChem CID 4883677) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
PubChem CID4883677
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
SMILESCOCCn1c(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C19H18N2O4S/c1-23-9-8-21-15-5-3-2-4-14(15)20-19(21)26-11-16(22)13-6-7-17-18(10-13)25-12-24-17/h2-7,10H,8-9,11-12H2,1H3
InChIKeyCUYYGEILKXHCFK-UHFFFAOYSA-N
XLogP3.39
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164
1-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 16505786
1-(1,3-benzodioxol-5-yl)-2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7815537
methyl 2-[2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 8869061
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 46658074
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 3124397
N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 42966797
6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24567591
1-[4-ethoxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanone
CID 112775591
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone (CID 4883677) is 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone is COCCn1c(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc21.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone?
The InChIKey is CUYYGEILKXHCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-9-8-21-15-5-3-2-4-14(15)20-19(21)26-11-16(22)13-6-7-17-18(10-13)25-12-24-17/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone?
1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone has a molecular weight of 370.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 4883677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).