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

C21H27N3O3 — CID 16682599

IUPAC(5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
SMILESCOc1cc(CCCN2C(N)=NC[C@@H]2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O3/c1-25-18-12-15(13-19(26-2)20(18)27-3)8-7-11-24-17(14-23-21(24)22)16-9-5-4-6-10-16/h4-6,9-10,12-13,17H,7-8,11,14H2,1-3H3,(H2,22,23)/t17-/m1/s1
InChIKeySHPAPEGQJWSKHS-QGZVFWFLSA-N
MW369.47 g/mol
LogP3.02
Rot. Bonds8

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

(5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine (PubChem CID 16682599) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
PubChem CID16682599
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
SMILESCOc1cc(CCCN2C(N)=NC[C@@H]2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O3/c1-25-18-12-15(13-19(26-2)20(18)27-3)8-7-11-24-17(14-23-21(24)22)16-9-5-4-6-10-16/h4-6,9-10,12-13,17H,7-8,11,14H2,1-3H3,(H2,22,23)/t17-/m1/s1
InChIKeySHPAPEGQJWSKHS-QGZVFWFLSA-N
XLogP3.02
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine (CID 16682599) is (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine is COc1cc(CCCN2C(N)=NC[C@@H]2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is SHPAPEGQJWSKHS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-25-18-12-15(13-19(26-2)20(18)27-3)8-7-11-24-17(14-23-21(24)22)16-9-5-4-6-10-16/h4-6,9-10,12-13,17H,7-8,11,14H2,1-3H3,(H2,22,23)/t17-/m1/s1.
What are the key properties of (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine?
(5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 369.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).