1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine

C18H21N3OS — CID 75382753

IUPAC1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C18H21N3OS/c1-14(20-11-15-7-10-23-13-15)16-3-5-17(6-4-16)22-12-18-19-8-9-21(18)2/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyGRSGVWMQWZMGNZ-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.91
Rot. Bonds7

About 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine

1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 75382753) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID75382753
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C18H21N3OS/c1-14(20-11-15-7-10-23-13-15)16-3-5-17(6-4-16)22-12-18-19-8-9-21(18)2/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyGRSGVWMQWZMGNZ-UHFFFAOYSA-N
XLogP3.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine (CID 75382753) is 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine is CC(NCc1ccsc1)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is GRSGVWMQWZMGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-14(20-11-15-7-10-23-13-15)16-3-5-17(6-4-16)22-12-18-19-8-9-21(18)2/h3-10,13-14,20H,11-12H2,1-2H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine?
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 327.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 75382753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).