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

C13H20N4 — CID 135387675

IUPAC(5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)[C@H]1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C13H20N4/c1-10(2)12-9-16-13(14)17(12)7-5-11-4-3-6-15-8-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H2,14,16)/t12-/m1/s1
InChIKeyKHABCXWLCAEVTM-GFCCVEGCSA-N
MW232.33 g/mol
LogP1.28
Rot. Bonds4

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

(5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 135387675) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID135387675
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)[C@H]1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C13H20N4/c1-10(2)12-9-16-13(14)17(12)7-5-11-4-3-6-15-8-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H2,14,16)/t12-/m1/s1
InChIKeyKHABCXWLCAEVTM-GFCCVEGCSA-N
XLogP1.28
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (CID 135387675) is (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is CC(C)[C@H]1CN=C(N)N1CCc1cccnc1.
What is the InChIKey of (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is KHABCXWLCAEVTM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(2)12-9-16-13(14)17(12)7-5-11-4-3-6-15-8-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H2,14,16)/t12-/m1/s1.
What are the key properties of (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135387675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).