3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol

C14H21N3OS — CID 114357734

IUPAC3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
SMILESCC(C)CC(N)C(CO)n1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3OS/c1-10(2)8-11(15)12(9-18)17-6-5-16-14(17)13-4-3-7-19-13/h3-7,10-12,18H,8-9,15H2,1-2H3
InChIKeyYWLASIFIWPUOJM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.52
Rot. Bonds6

About 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol

3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol (PubChem CID 114357734) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
PubChem CID114357734
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
SMILESCC(C)CC(N)C(CO)n1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3OS/c1-10(2)8-11(15)12(9-18)17-6-5-16-14(17)13-4-3-7-19-13/h3-7,10-12,18H,8-9,15H2,1-2H3
InChIKeyYWLASIFIWPUOJM-UHFFFAOYSA-N
XLogP2.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272
1-(difluoromethyl)-2-thiophen-2-ylimidazole
CID 116621597
ethyl 2-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 64662267
N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
CID 64707252
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
CID 116621681
methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
CID 64706063
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651
1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol (CID 114357734) is 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol is CC(C)CC(N)C(CO)n1ccnc1-c1cccs1.
What is the InChIKey of 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
The InChIKey is YWLASIFIWPUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(2)8-11(15)12(9-18)17-6-5-16-14(17)13-4-3-7-19-13/h3-7,10-12,18H,8-9,15H2,1-2H3.
What are the key properties of 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol?
3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol has a molecular weight of 279.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol is sourced from PubChem (CID 114357734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).