2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol

C18H28N4OS — CID 135108470

IUPAC2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccc(CN3CCCCC3)s2)[nH]1
InChIInChI=1S/C18H28N4OS/c1-15-19-11-16(20-15)12-22(9-10-23)14-18-6-5-17(24-18)13-21-7-3-2-4-8-21/h5-6,11,23H,2-4,7-10,12-14H2,1H3,(H,19,20)
InChIKeyQQMISLOQISEDCH-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.76
Rot. Bonds8

About 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol

2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol (PubChem CID 135108470) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol
PubChem CID135108470
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccc(CN3CCCCC3)s2)[nH]1
InChIInChI=1S/C18H28N4OS/c1-15-19-11-16(20-15)12-22(9-10-23)14-18-6-5-17(24-18)13-21-7-3-2-4-8-21/h5-6,11,23H,2-4,7-10,12-14H2,1H3,(H,19,20)
InChIKeyQQMISLOQISEDCH-UHFFFAOYSA-N
XLogP2.76
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol (CID 135108470) is 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol is Cc1ncc(CN(CCO)Cc2ccc(CN3CCCCC3)s2)[nH]1.
What is the InChIKey of 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol?
The InChIKey is QQMISLOQISEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-15-19-11-16(20-15)12-22(9-10-23)14-18-6-5-17(24-18)13-21-7-3-2-4-8-21/h5-6,11,23H,2-4,7-10,12-14H2,1H3,(H,19,20).
What are the key properties of 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol?
2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol has a molecular weight of 348.52 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 135108470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).