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

C12H17N3OS — CID 50962822

IUPAC2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2cccs2)[nH]1
InChIInChI=1S/C12H17N3OS/c1-10-13-7-11(14-10)8-15(4-5-16)9-12-3-2-6-17-12/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,13,14)
InChIKeyHXRQQNOHYQUIFO-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.77
Rot. Bonds6

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

2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 50962822) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol
PubChem CID50962822
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2cccs2)[nH]1
InChIInChI=1S/C12H17N3OS/c1-10-13-7-11(14-10)8-15(4-5-16)9-12-3-2-6-17-12/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,13,14)
InChIKeyHXRQQNOHYQUIFO-UHFFFAOYSA-N
XLogP1.77
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol (CID 50962822) is 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol is Cc1ncc(CN(CCO)Cc2cccs2)[nH]1.
What is the InChIKey of 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is HXRQQNOHYQUIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10-13-7-11(14-10)8-15(4-5-16)9-12-3-2-6-17-12/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,13,14).
What are the key properties of 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol?
2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 251.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-imidazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 50962822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).