N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine

C12H17N3OS — CID 81124735

IUPACN-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1OC)c1nccn1C
InChIInChI=1S/C12H17N3OS/c1-4-13-10(12-14-6-7-15(12)2)11-9(16-3)5-8-17-11/h5-8,10,13H,4H2,1-3H3
InChIKeyMBRFICDTHFHWTC-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.19
Rot. Bonds5

About N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine

N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 81124735) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID81124735
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1OC)c1nccn1C
InChIInChI=1S/C12H17N3OS/c1-4-13-10(12-14-6-7-15(12)2)11-9(16-3)5-8-17-11/h5-8,10,13H,4H2,1-3H3
InChIKeyMBRFICDTHFHWTC-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 81124735) is N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1sccc1OC)c1nccn1C.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is MBRFICDTHFHWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-4-13-10(12-14-6-7-15(12)2)11-9(16-3)5-8-17-11/h5-8,10,13H,4H2,1-3H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81124735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).