N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine

C16H22N4 — CID 106577771

IUPACN-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine
SMILESCC(Cn1ccnc1Nc1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N4/c1-14(19-10-5-6-11-19)13-20-12-9-17-16(20)18-15-7-3-2-4-8-15/h2-4,7-9,12,14H,5-6,10-11,13H2,1H3,(H,17,18)
InChIKeyRUGBXHIFWBMWCK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.11
Rot. Bonds5

About N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine

N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine (PubChem CID 106577771) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine
PubChem CID106577771
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine
SMILESCC(Cn1ccnc1Nc1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N4/c1-14(19-10-5-6-11-19)13-20-12-9-17-16(20)18-15-7-3-2-4-8-15/h2-4,7-9,12,14H,5-6,10-11,13H2,1H3,(H,17,18)
InChIKeyRUGBXHIFWBMWCK-UHFFFAOYSA-N
XLogP3.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine?
The IUPAC name of N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine (CID 106577771) is N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine.
What is the SMILES notation for N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine?
The canonical SMILES for N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine is CC(Cn1ccnc1Nc1ccccc1)N1CCCC1.
What is the InChIKey of N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine?
The InChIKey is RUGBXHIFWBMWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-14(19-10-5-6-11-19)13-20-12-9-17-16(20)18-15-7-3-2-4-8-15/h2-4,7-9,12,14H,5-6,10-11,13H2,1H3,(H,17,18).
What are the key properties of N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine?
N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine is sourced from PubChem (CID 106577771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).