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

C14H22N4 — CID 135387325

IUPAC(5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C14H22N4/c1-3-11(2)13-10-17-14(15)18(13)8-6-12-5-4-7-16-9-12/h4-5,7,9,11,13H,3,6,8,10H2,1-2H3,(H2,15,17)/t11?,13-/m1/s1
InChIKeyXALZLQWBCKCGBZ-GLGOKHISSA-N
MW246.36 g/mol
LogP1.67
Rot. Bonds5

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

(5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 135387325) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID135387325
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name(5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C14H22N4/c1-3-11(2)13-10-17-14(15)18(13)8-6-12-5-4-7-16-9-12/h4-5,7,9,11,13H,3,6,8,10H2,1-2H3,(H2,15,17)/t11?,13-/m1/s1
InChIKeyXALZLQWBCKCGBZ-GLGOKHISSA-N
XLogP1.67
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (CID 135387325) is (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is CCC(C)[C@H]1CN=C(N)N1CCc1cccnc1.
What is the InChIKey of (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XALZLQWBCKCGBZ-GLGOKHISSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-11(2)13-10-17-14(15)18(13)8-6-12-5-4-7-16-9-12/h4-5,7,9,11,13H,3,6,8,10H2,1-2H3,(H2,15,17)/t11?,13-/m1/s1.
What are the key properties of (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 246.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butan-2-yl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135387325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).