(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine

C19H31N3O3 — CID 16745884

IUPAC(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H31N3O3/c1-6-13(2)15-12-21-19(20)22(15)9-7-8-14-10-16(23-3)18(25-5)17(11-14)24-4/h10-11,13,15H,6-9,12H2,1-5H3,(H2,20,21)/t13?,15-/m1/s1
InChIKeyZRXUNEKPWNRLDV-AWKYBWMHSA-N
MW349.48 g/mol
LogP2.69
Rot. Bonds9

About (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine

(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine (PubChem CID 16745884) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
PubChem CID16745884
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
SMILESCCC(C)[C@H]1CN=C(N)N1CCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H31N3O3/c1-6-13(2)15-12-21-19(20)22(15)9-7-8-14-10-16(23-3)18(25-5)17(11-14)24-4/h10-11,13,15H,6-9,12H2,1-5H3,(H2,20,21)/t13?,15-/m1/s1
InChIKeyZRXUNEKPWNRLDV-AWKYBWMHSA-N
XLogP2.69
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine (CID 16745884) is (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine is CCC(C)[C@H]1CN=C(N)N1CCCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is ZRXUNEKPWNRLDV-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-13(2)15-12-21-19(20)22(15)9-7-8-14-10-16(23-3)18(25-5)17(11-14)24-4/h10-11,13,15H,6-9,12H2,1-5H3,(H2,20,21)/t13?,15-/m1/s1.
What are the key properties of (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 349.48 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16745884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).