2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine

C13H19N3S — CID 63926564

IUPAC2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
SMILESCc1[nH]c(CNC(C)(C)C)nc1-c1cccs1
InChIInChI=1S/C13H19N3S/c1-9-12(10-6-5-7-17-10)16-11(15-9)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,16)
InChIKeyIMRGHWPIDUFFLH-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.33
Rot. Bonds3

About 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine

2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine (PubChem CID 63926564) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
PubChem CID63926564
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
SMILESCc1[nH]c(CNC(C)(C)C)nc1-c1cccs1
InChIInChI=1S/C13H19N3S/c1-9-12(10-6-5-7-17-10)16-11(15-9)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,16)
InChIKeyIMRGHWPIDUFFLH-UHFFFAOYSA-N
XLogP3.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine (CID 63926564) is 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine is Cc1[nH]c(CNC(C)(C)C)nc1-c1cccs1.
What is the InChIKey of 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
The InChIKey is IMRGHWPIDUFFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9-12(10-6-5-7-17-10)16-11(15-9)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine?
2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 63926564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).