2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide

C23H20N4OS — CID 3438551

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C23H20N4OS/c1-2-27-20-10-6-3-7-16(20)17-13-15(11-12-21(17)27)24-22(28)14-29-23-25-18-8-4-5-9-19(18)26-23/h3-13H,2,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyUMLRUQZDVOCKFS-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.42
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 3438551) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID3438551
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C23H20N4OS/c1-2-27-20-10-6-3-7-16(20)17-13-15(11-12-21(17)27)24-22(28)14-29-23-25-18-8-4-5-9-19(18)26-23/h3-13H,2,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyUMLRUQZDVOCKFS-UHFFFAOYSA-N
XLogP5.42
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide (CID 3438551) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is UMLRUQZDVOCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-2-27-20-10-6-3-7-16(20)17-13-15(11-12-21(17)27)24-22(28)14-29-23-25-18-8-4-5-9-19(18)26-23/h3-13H,2,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 400.51 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 3438551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).