4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine

C14H21N3S — CID 106577993

IUPAC4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCc2sccc2C)n1
InChIInChI=1S/C14H21N3S/c1-10(2)8-17-9-12(4)16-14(17)15-7-13-11(3)5-6-18-13/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyZOHFHOMURNNZKI-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.83
Rot. Bonds5

About 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine

4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine (PubChem CID 106577993) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
PubChem CID106577993
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCc2sccc2C)n1
InChIInChI=1S/C14H21N3S/c1-10(2)8-17-9-12(4)16-14(17)15-7-13-11(3)5-6-18-13/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyZOHFHOMURNNZKI-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine (CID 106577993) is 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine is Cc1cn(CC(C)C)c(NCc2sccc2C)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The InChIKey is ZOHFHOMURNNZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(2)8-17-9-12(4)16-14(17)15-7-13-11(3)5-6-18-13/h5-6,9-10H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106577993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).