1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine

C14H21N3O3 — CID 79510728

IUPAC1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-17-10(8-16-14(17)15)9-6-11(18-2)13(20-4)12(7-9)19-3/h6-7,10H,5,8H2,1-4H3,(H2,15,16)
InChIKeyQPJZLRBDNMDNSF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.40
Rot. Bonds5

About 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine

1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79510728) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79510728
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-17-10(8-16-14(17)15)9-6-11(18-2)13(20-4)12(7-9)19-3/h6-7,10H,5,8H2,1-4H3,(H2,15,16)
InChIKeyQPJZLRBDNMDNSF-UHFFFAOYSA-N
XLogP1.40
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79510728) is 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine is CCN1C(N)=NCC1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is QPJZLRBDNMDNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-17-10(8-16-14(17)15)9-6-11(18-2)13(20-4)12(7-9)19-3/h6-7,10H,5,8H2,1-4H3,(H2,15,16).
What are the key properties of 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 279.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).