2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

C18H19N3OS — CID 750439

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESCn1ccnc1SCC(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C18H19N3OS/c1-20-11-10-19-18(20)23-12-17(22)21-15-8-4-2-6-13(15)14-7-3-5-9-16(14)21/h2,4,6,8,10-11H,3,5,7,9,12H2,1H3
InChIKeyBHFYXLAZRHJZRN-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.69
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (PubChem CID 750439) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
PubChem CID750439
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESCn1ccnc1SCC(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C18H19N3OS/c1-20-11-10-19-18(20)23-12-17(22)21-15-8-4-2-6-13(15)14-7-3-5-9-16(14)21/h2,4,6,8,10-11H,3,5,7,9,12H2,1H3
InChIKeyBHFYXLAZRHJZRN-UHFFFAOYSA-N
XLogP3.69
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (CID 750439) is 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is Cn1ccnc1SCC(=O)n1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The InChIKey is BHFYXLAZRHJZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-20-11-10-19-18(20)23-12-17(22)21-15-8-4-2-6-13(15)14-7-3-5-9-16(14)21/h2,4,6,8,10-11H,3,5,7,9,12H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone has a molecular weight of 325.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is sourced from PubChem (CID 750439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).