1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol

C13H18N2OS — CID 105113589

IUPAC1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
SMILESCn1ccnc1CC(O)CCCc1cccs1
InChIInChI=1S/C13H18N2OS/c1-15-8-7-14-13(15)10-11(16)4-2-5-12-6-3-9-17-12/h3,6-9,11,16H,2,4-5,10H2,1H3
InChIKeyQXCUXXLYCDXUKQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.41
Rot. Bonds6

About 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol

1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol (PubChem CID 105113589) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
PubChem CID105113589
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
SMILESCn1ccnc1CC(O)CCCc1cccs1
InChIInChI=1S/C13H18N2OS/c1-15-8-7-14-13(15)10-11(16)4-2-5-12-6-3-9-17-12/h3,6-9,11,16H,2,4-5,10H2,1H3
InChIKeyQXCUXXLYCDXUKQ-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
CID 79745049
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
CID 105116298
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-ol
CID 105125071
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55144234
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
8-thiophen-2-yloctan-4-ol
CID 64516293

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol (CID 105113589) is 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol is Cn1ccnc1CC(O)CCCc1cccs1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
The InChIKey is QXCUXXLYCDXUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15-8-7-14-13(15)10-11(16)4-2-5-12-6-3-9-17-12/h3,6-9,11,16H,2,4-5,10H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol has a molecular weight of 250.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 105113589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).