7-imidazol-1-yl-1-thiophen-2-yldecan-1-one

C17H24N2OS — CID 23365334

IUPAC7-imidazol-1-yl-1-thiophen-2-yldecan-1-one
SMILESCCCC(CCCCCC(=O)c1cccs1)n1ccnc1
InChIInChI=1S/C17H24N2OS/c1-2-7-15(19-12-11-18-14-19)8-4-3-5-9-16(20)17-10-6-13-21-17/h6,10-15H,2-5,7-9H2,1H3
InChIKeyKVCNYDOHLNLVIP-UHFFFAOYSA-N
MW304.46 g/mol
LogP5.12
Rot. Bonds10

About 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one

7-imidazol-1-yl-1-thiophen-2-yldecan-1-one (PubChem CID 23365334) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one.

Molecular Properties

Compound Name7-imidazol-1-yl-1-thiophen-2-yldecan-1-one
PubChem CID23365334
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name7-imidazol-1-yl-1-thiophen-2-yldecan-1-one
SMILESCCCC(CCCCCC(=O)c1cccs1)n1ccnc1
InChIInChI=1S/C17H24N2OS/c1-2-7-15(19-12-11-18-14-19)8-4-3-5-9-16(20)17-10-6-13-21-17/h6,10-15H,2-5,7-9H2,1H3
InChIKeyKVCNYDOHLNLVIP-UHFFFAOYSA-N
XLogP5.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-imidazol-1-yldodecan-1-ol
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4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
4-pentylsulfanyl-1-thiophen-2-ylbutan-1-one
CID 107752475
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
1-hexan-3-ylimidazole
CID 54145075
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CID 43793680

Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one?
The IUPAC name of 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one (CID 23365334) is 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one.
What is the SMILES notation for 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one?
The canonical SMILES for 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one is CCCC(CCCCCC(=O)c1cccs1)n1ccnc1.
What is the InChIKey of 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one?
The InChIKey is KVCNYDOHLNLVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-7-15(19-12-11-18-14-19)8-4-3-5-9-16(20)17-10-6-13-21-17/h6,10-15H,2-5,7-9H2,1H3.
What are the key properties of 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one?
7-imidazol-1-yl-1-thiophen-2-yldecan-1-one has a molecular weight of 304.46 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-1-thiophen-2-yldecan-1-one is sourced from PubChem (CID 23365334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).