1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine

C15H17N3OS — CID 79497719

IUPAC1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(N2C(N)=NCC2c2sccc2C)cc1
InChIInChI=1S/C15H17N3OS/c1-10-7-8-20-14(10)13-9-17-15(16)18(13)11-3-5-12(19-2)6-4-11/h3-8,13H,9H2,1-2H3,(H2,16,17)
InChIKeyHNQNNHBYMFHWPB-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine

1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79497719) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79497719
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(N2C(N)=NCC2c2sccc2C)cc1
InChIInChI=1S/C15H17N3OS/c1-10-7-8-20-14(10)13-9-17-15(16)18(13)11-3-5-12(19-2)6-4-11/h3-8,13H,9H2,1-2H3,(H2,16,17)
InChIKeyHNQNNHBYMFHWPB-UHFFFAOYSA-N
XLogP2.94
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (CID 79497719) is 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is COc1ccc(N2C(N)=NCC2c2sccc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is HNQNNHBYMFHWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-7-8-20-14(10)13-9-17-15(16)18(13)11-3-5-12(19-2)6-4-11/h3-8,13H,9H2,1-2H3,(H2,16,17).
What are the key properties of 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 287.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).