1-heptyl-2-thiophen-2-ylimidazole

C14H20N2S — CID 116621595

IUPAC1-heptyl-2-thiophen-2-ylimidazole
SMILESCCCCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C14H20N2S/c1-2-3-4-5-6-10-16-11-9-15-14(16)13-8-7-12-17-13/h7-9,11-12H,2-6,10H2,1H3
InChIKeyIVNDZTXNEZIKMD-UHFFFAOYSA-N
MW248.40 g/mol
LogP4.58
Rot. Bonds7

About 1-heptyl-2-thiophen-2-ylimidazole

1-heptyl-2-thiophen-2-ylimidazole (PubChem CID 116621595) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is 1-heptyl-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-heptyl-2-thiophen-2-ylimidazole
PubChem CID116621595
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name1-heptyl-2-thiophen-2-ylimidazole
SMILESCCCCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C14H20N2S/c1-2-3-4-5-6-10-16-11-9-15-14(16)13-8-7-12-17-13/h7-9,11-12H,2-6,10H2,1H3
InChIKeyIVNDZTXNEZIKMD-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
N-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]heptan-2-amine
CID 62566840
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
CID 116621663
N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
CID 62566108
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
2-ethyl-2-(methylamino)-5-(2-thiophen-2-ylimidazol-1-yl)pentanoic acid
CID 106806640
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
2,2-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanenitrile
CID 65256857
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-thiophen-2-ylimidazole?
The IUPAC name of 1-heptyl-2-thiophen-2-ylimidazole (CID 116621595) is 1-heptyl-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-heptyl-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-heptyl-2-thiophen-2-ylimidazole is CCCCCCCn1ccnc1-c1cccs1.
What is the InChIKey of 1-heptyl-2-thiophen-2-ylimidazole?
The InChIKey is IVNDZTXNEZIKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-3-4-5-6-10-16-11-9-15-14(16)13-8-7-12-17-13/h7-9,11-12H,2-6,10H2,1H3.
What are the key properties of 1-heptyl-2-thiophen-2-ylimidazole?
1-heptyl-2-thiophen-2-ylimidazole has a molecular weight of 248.40 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-thiophen-2-ylimidazole is sourced from PubChem (CID 116621595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).