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

C19H25N3 — CID 23640878

IUPAC(5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCc1cccc2ccccc12
InChIInChI=1S/C19H25N3/c1-3-14(2)18-13-21-19(20)22(18)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14,18H,3,11-13H2,1-2H3,(H2,20,21)/t14?,18-/m1/s1
InChIKeyMDPOGOQDVGOVFA-XPKAQORNSA-N
MW295.43 g/mol
LogP3.43
Rot. Bonds5

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

(5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640878) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640878
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCc1cccc2ccccc12
InChIInChI=1S/C19H25N3/c1-3-14(2)18-13-21-19(20)22(18)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14,18H,3,11-13H2,1-2H3,(H2,20,21)/t14?,18-/m1/s1
InChIKeyMDPOGOQDVGOVFA-XPKAQORNSA-N
XLogP3.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine (CID 23640878) is (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine is CCC(C)[C@H]1CN=C(N)N1CCc1cccc2ccccc12.
What is the InChIKey of (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is MDPOGOQDVGOVFA-XPKAQORNSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-14(2)18-13-21-19(20)22(18)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14,18H,3,11-13H2,1-2H3,(H2,20,21)/t14?,18-/m1/s1.
What are the key properties of (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butan-2-yl-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).