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

C16H25N3S — CID 66149673

IUPAC2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCC(c1cccs1)n1cncc1CNCC(C)C
InChIInChI=1S/C16H25N3S/c1-4-6-15(16-7-5-8-20-16)19-12-18-11-14(19)10-17-9-13(2)3/h5,7-8,11-13,15,17H,4,6,9-10H2,1-3H3
InChIKeyGZSIMCNIBUPMOS-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.08
Rot. Bonds8

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

2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66149673) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66149673
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCC(c1cccs1)n1cncc1CNCC(C)C
InChIInChI=1S/C16H25N3S/c1-4-6-15(16-7-5-8-20-16)19-12-18-11-14(19)10-17-9-13(2)3/h5,7-8,11-13,15,17H,4,6,9-10H2,1-3H3
InChIKeyGZSIMCNIBUPMOS-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.08
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-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine (CID 66149673) is 2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine is CCCC(c1cccs1)n1cncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GZSIMCNIBUPMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-4-6-15(16-7-5-8-20-16)19-12-18-11-14(19)10-17-9-13(2)3/h5,7-8,11-13,15,17H,4,6,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 4.08, 8 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-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66149673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).