4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol

C12H16N2OS — CID 64719272

IUPAC4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
SMILESCC(O)CC(C)n1ccnc1-c1cccs1
InChIInChI=1S/C12H16N2OS/c1-9(8-10(2)15)14-6-5-13-12(14)11-4-3-7-16-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyYHHRSNRWOMCYFB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.94
Rot. Bonds4

About 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol

4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol (PubChem CID 64719272) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol.

Molecular Properties

Compound Name4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
PubChem CID64719272
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
SMILESCC(O)CC(C)n1ccnc1-c1cccs1
InChIInChI=1S/C12H16N2OS/c1-9(8-10(2)15)14-6-5-13-12(14)11-4-3-7-16-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyYHHRSNRWOMCYFB-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
CID 64707252
N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
CID 116621681
3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 114357734
1-(difluoromethyl)-2-thiophen-2-ylimidazole
CID 116621597
methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
CID 64706063
N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
CID 62565146
ethyl 2-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 64662267
1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol?
The IUPAC name of 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol (CID 64719272) is 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol.
What is the SMILES notation for 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol?
The canonical SMILES for 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol is CC(O)CC(C)n1ccnc1-c1cccs1.
What is the InChIKey of 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol?
The InChIKey is YHHRSNRWOMCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(8-10(2)15)14-6-5-13-12(14)11-4-3-7-16-11/h3-7,9-10,15H,8H2,1-2H3.
What are the key properties of 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol?
4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol is sourced from PubChem (CID 64719272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).