2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine

C14H21N3S — CID 66149926

IUPAC2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(c1ccsc1)n1cncc1CNC(C)(C)C
InChIInChI=1S/C14H21N3S/c1-11(12-5-6-18-9-12)17-10-15-7-13(17)8-16-14(2,3)4/h5-7,9-11,16H,8H2,1-4H3
InChIKeyZRZSXNRHFFDIPK-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.44
Rot. Bonds4

About 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66149926) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66149926
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(c1ccsc1)n1cncc1CNC(C)(C)C
InChIInChI=1S/C14H21N3S/c1-11(12-5-6-18-9-12)17-10-15-7-13(17)8-16-14(2,3)4/h5-7,9-11,16H,8H2,1-4H3
InChIKeyZRZSXNRHFFDIPK-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine (CID 66149926) is 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine is CC(c1ccsc1)n1cncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is ZRZSXNRHFFDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(12-5-6-18-9-12)17-10-15-7-13(17)8-16-14(2,3)4/h5-7,9-11,16H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66149926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).