6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol

C13H18N2OS — CID 113353810

IUPAC6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
SMILESOCCCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H18N2OS/c16-10-4-2-1-3-8-15-9-7-14-13(15)12-6-5-11-17-12/h5-7,9,11,16H,1-4,8,10H2
InChIKeyLIORIRZAJFNFOH-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.16
Rot. Bonds7

About 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol

6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol (PubChem CID 113353810) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
PubChem CID113353810
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
SMILESOCCCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C13H18N2OS/c16-10-4-2-1-3-8-15-9-7-14-13(15)12-6-5-11-17-12/h5-7,9,11,16H,1-4,8,10H2
InChIKeyLIORIRZAJFNFOH-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
CID 116621663
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
CID 62566108
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
2-ethyl-2-(methylamino)-5-(2-thiophen-2-ylimidazol-1-yl)pentanoic acid
CID 106806640
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
CID 62565929
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 116621555
N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567030
3-methyl-4-(2-thiophen-2-ylimidazol-1-yl)but-2-enoic acid
CID 76975064

Frequently Asked Questions

What is the IUPAC name of 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol (CID 113353810) is 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol is OCCCCCCn1ccnc1-c1cccs1.
What is the InChIKey of 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
The InChIKey is LIORIRZAJFNFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-10-4-2-1-3-8-15-9-7-14-13(15)12-6-5-11-17-12/h5-7,9,11,16H,1-4,8,10H2.
What are the key properties of 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol has a molecular weight of 250.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol is sourced from PubChem (CID 113353810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).