1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine

C19H21N3O2 — CID 53320707

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine
SMILESCOc1ccc(CCn2c(-c3ccccc3)cnc2N)cc1OC
InChIInChI=1S/C19H21N3O2/c1-23-17-9-8-14(12-18(17)24-2)10-11-22-16(13-21-19(22)20)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21)
InChIKeySASHEUGLPLKIHG-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.39
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine (PubChem CID 53320707) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine
PubChem CID53320707
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine
SMILESCOc1ccc(CCn2c(-c3ccccc3)cnc2N)cc1OC
InChIInChI=1S/C19H21N3O2/c1-23-17-9-8-14(12-18(17)24-2)10-11-22-16(13-21-19(22)20)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21)
InChIKeySASHEUGLPLKIHG-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine (CID 53320707) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine is COc1ccc(CCn2c(-c3ccccc3)cnc2N)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine?
The InChIKey is SASHEUGLPLKIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-17-9-8-14(12-18(17)24-2)10-11-22-16(13-21-19(22)20)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylimidazol-2-amine is sourced from PubChem (CID 53320707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).