1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine

C16H23N3S — CID 106565332

IUPAC1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
SMILESCCCC(Nc1nccn1C1CCCC1)c1cccs1
InChIInChI=1S/C16H23N3S/c1-2-6-14(15-9-5-12-20-15)18-16-17-10-11-19(16)13-7-3-4-8-13/h5,9-14H,2-4,6-8H2,1H3,(H,17,18)
InChIKeyUTHRJOLYIMXIBI-UHFFFAOYSA-N
MW289.45 g/mol
LogP5.01
Rot. Bonds6

About 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine

1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine (PubChem CID 106565332) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
PubChem CID106565332
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
SMILESCCCC(Nc1nccn1C1CCCC1)c1cccs1
InChIInChI=1S/C16H23N3S/c1-2-6-14(15-9-5-12-20-15)18-16-17-10-11-19(16)13-7-3-4-8-13/h5,9-14H,2-4,6-8H2,1H3,(H,17,18)
InChIKeyUTHRJOLYIMXIBI-UHFFFAOYSA-N
XLogP5.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine (CID 106565332) is 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine is CCCC(Nc1nccn1C1CCCC1)c1cccs1.
What is the InChIKey of 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine?
The InChIKey is UTHRJOLYIMXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-6-14(15-9-5-12-20-15)18-16-17-10-11-19(16)13-7-3-4-8-13/h5,9-14H,2-4,6-8H2,1H3,(H,17,18).
What are the key properties of 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine?
1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine is sourced from PubChem (CID 106565332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).