1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine

C13H16N4 — CID 106571572

IUPAC1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H16N4/c14-13-15-7-10-17(13)12-5-3-11(4-6-12)16-8-1-2-9-16/h3-7,10H,1-2,8-9H2,(H2,14,15)
InChIKeyWSHPHIOFRZXLTG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine

1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine (PubChem CID 106571572) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
PubChem CID106571572
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H16N4/c14-13-15-7-10-17(13)12-5-3-11(4-6-12)16-8-1-2-9-16/h3-7,10H,1-2,8-9H2,(H2,14,15)
InChIKeyWSHPHIOFRZXLTG-UHFFFAOYSA-N
XLogP2.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine (CID 106571572) is 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The canonical SMILES for 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine is Nc1nccn1-c1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The InChIKey is WSHPHIOFRZXLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13-15-7-10-17(13)12-5-3-11(4-6-12)16-8-1-2-9-16/h3-7,10H,1-2,8-9H2,(H2,14,15).
What are the key properties of 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine is sourced from PubChem (CID 106571572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).