(5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine

C17H20N4 — CID 135386350

IUPAC(5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCc1cccnc1
InChIInChI=1S/C17H20N4/c18-17-20-13-16(11-14-5-2-1-3-6-14)21(17)10-8-15-7-4-9-19-12-15/h1-7,9,12,16H,8,10-11,13H2,(H2,18,20)/t16-/m0/s1
InChIKeyRRTYZXWHZUPMBN-INIZCTEOSA-N
MW280.38 g/mol
LogP1.87
Rot. Bonds5

About (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 135386350) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID135386350
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name(5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCc1cccnc1
InChIInChI=1S/C17H20N4/c18-17-20-13-16(11-14-5-2-1-3-6-14)21(17)10-8-15-7-4-9-19-12-15/h1-7,9,12,16H,8,10-11,13H2,(H2,18,20)/t16-/m0/s1
InChIKeyRRTYZXWHZUPMBN-INIZCTEOSA-N
XLogP1.87
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (CID 135386350) is (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](Cc2ccccc2)N1CCc1cccnc1.
What is the InChIKey of (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is RRTYZXWHZUPMBN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N4/c18-17-20-13-16(11-14-5-2-1-3-6-14)21(17)10-8-15-7-4-9-19-12-15/h1-7,9,12,16H,8,10-11,13H2,(H2,18,20)/t16-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 280.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135386350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).