2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C19H19N5O3S — CID 4563724

IUPAC2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCOCCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C19H19N5O3S/c1-27-9-8-24-16-5-3-2-4-14(16)23-19(24)28-11-17(25)20-12-6-7-13-15(10-12)22-18(26)21-13/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H2,21,22,26)
InChIKeyYNDJSCPUKQCPMH-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.58
Rot. Bonds7

About 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 4563724) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID4563724
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCOCCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C19H19N5O3S/c1-27-9-8-24-16-5-3-2-4-14(16)23-19(24)28-11-17(25)20-12-6-7-13-15(10-12)22-18(26)21-13/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H2,21,22,26)
InChIKeyYNDJSCPUKQCPMH-UHFFFAOYSA-N
XLogP2.58
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 4563724) is 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is COCCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is YNDJSCPUKQCPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-27-9-8-24-16-5-3-2-4-14(16)23-19(24)28-11-17(25)20-12-6-7-13-15(10-12)22-18(26)21-13/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H2,21,22,26).
What are the key properties of 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 4563724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).