2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

C17H26N4S — CID 77085871

IUPAC2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCN(CCn1ccnc1)Cc1cc(CN2CCCCC2)cs1
InChIInChI=1S/C17H26N4S/c1-19(9-10-21-8-5-18-15-21)13-17-11-16(14-22-17)12-20-6-3-2-4-7-20/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyJESZMQXPRRFZJA-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.06
Rot. Bonds7

About 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 77085871) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID77085871
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCN(CCn1ccnc1)Cc1cc(CN2CCCCC2)cs1
InChIInChI=1S/C17H26N4S/c1-19(9-10-21-8-5-18-15-21)13-17-11-16(14-22-17)12-20-6-3-2-4-7-20/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyJESZMQXPRRFZJA-UHFFFAOYSA-N
XLogP3.06
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (CID 77085871) is 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is CN(CCn1ccnc1)Cc1cc(CN2CCCCC2)cs1.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is JESZMQXPRRFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-19(9-10-21-8-5-18-15-21)13-17-11-16(14-22-17)12-20-6-3-2-4-7-20/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 318.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 77085871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).