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

C22H29N3O3 — CID 16682583

IUPAC(5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
SMILESCOc1cc(CCCN2C(N)=NC[C@@H]2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O3/c1-26-19-13-17(14-20(27-2)21(19)28-3)10-7-11-25-18(15-24-22(25)23)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,7,10-12,15H2,1-3H3,(H2,23,24)/t18-/m0/s1
InChIKeyGSOJKCYIWYAIAV-SFHVURJKSA-N
MW383.49 g/mol
LogP2.89
Rot. Bonds9

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

(5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine (PubChem CID 16682583) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
PubChem CID16682583
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
SMILESCOc1cc(CCCN2C(N)=NC[C@@H]2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O3/c1-26-19-13-17(14-20(27-2)21(19)28-3)10-7-11-25-18(15-24-22(25)23)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,7,10-12,15H2,1-3H3,(H2,23,24)/t18-/m0/s1
InChIKeyGSOJKCYIWYAIAV-SFHVURJKSA-N
XLogP2.89
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine (CID 16682583) is (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine is COc1cc(CCCN2C(N)=NC[C@@H]2Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is GSOJKCYIWYAIAV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-26-19-13-17(14-20(27-2)21(19)28-3)10-7-11-25-18(15-24-22(25)23)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,7,10-12,15H2,1-3H3,(H2,23,24)/t18-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 383.49 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).