1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol

C17H25N3OS — CID 56874403

IUPAC1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)Cc1csc(-c2nccn2CC2(O)CCCCC2)c1
InChIInChI=1S/C17H25N3OS/c1-19(2)11-14-10-15(22-12-14)16-18-8-9-20(16)13-17(21)6-4-3-5-7-17/h8-10,12,21H,3-7,11,13H2,1-2H3
InChIKeyTVFWXXXOWHEGOA-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.37
Rot. Bonds5

About 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol

1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 56874403) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID56874403
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)Cc1csc(-c2nccn2CC2(O)CCCCC2)c1
InChIInChI=1S/C17H25N3OS/c1-19(2)11-14-10-15(22-12-14)16-18-8-9-20(16)13-17(21)6-4-3-5-7-17/h8-10,12,21H,3-7,11,13H2,1-2H3
InChIKeyTVFWXXXOWHEGOA-UHFFFAOYSA-N
XLogP3.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol (CID 56874403) is 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol is CN(C)Cc1csc(-c2nccn2CC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is TVFWXXXOWHEGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-19(2)11-14-10-15(22-12-14)16-18-8-9-20(16)13-17(21)6-4-3-5-7-17/h8-10,12,21H,3-7,11,13H2,1-2H3.
What are the key properties of 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol?
1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 319.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-[(dimethylamino)methyl]thiophen-2-yl]imidazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 56874403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).