N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine

C13H17N3S — CID 106571939

IUPACN-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine
SMILESc1cn(Cc2ccsc2)c(NC2CCCC2)n1
InChIInChI=1S/C13H17N3S/c1-2-4-12(3-1)15-13-14-6-7-16(13)9-11-5-8-17-10-11/h5-8,10,12H,1-4,9H2,(H,14,15)
InChIKeyVULBOPRWFQFJON-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.35
Rot. Bonds4

About N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine

N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine (PubChem CID 106571939) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine
PubChem CID106571939
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine
SMILESc1cn(Cc2ccsc2)c(NC2CCCC2)n1
InChIInChI=1S/C13H17N3S/c1-2-4-12(3-1)15-13-14-6-7-16(13)9-11-5-8-17-10-11/h5-8,10,12H,1-4,9H2,(H,14,15)
InChIKeyVULBOPRWFQFJON-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine (CID 106571939) is N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine is c1cn(Cc2ccsc2)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine?
The InChIKey is VULBOPRWFQFJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-4-12(3-1)15-13-14-6-7-16(13)9-11-5-8-17-10-11/h5-8,10,12H,1-4,9H2,(H,14,15).
What are the key properties of N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine?
N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106571939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).