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

C16H16ClN3O — CID 79502499

IUPAC5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(N2C(N)=NCC2c2ccccc2Cl)c1
InChIInChI=1S/C16H16ClN3O/c1-21-12-6-4-5-11(9-12)20-15(10-19-16(20)18)13-7-2-3-8-14(13)17/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyFZIMWRYMAGTBQZ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.22
Rot. Bonds3

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

5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79502499) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79502499
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(N2C(N)=NCC2c2ccccc2Cl)c1
InChIInChI=1S/C16H16ClN3O/c1-21-12-6-4-5-11(9-12)20-15(10-19-16(20)18)13-7-2-3-8-14(13)17/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyFZIMWRYMAGTBQZ-UHFFFAOYSA-N
XLogP3.22
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79502499) is 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is COc1cccc(N2C(N)=NCC2c2ccccc2Cl)c1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FZIMWRYMAGTBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-21-12-6-4-5-11(9-12)20-15(10-19-16(20)18)13-7-2-3-8-14(13)17/h2-9,15H,10H2,1H3,(H2,18,19).
What are the key properties of 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 301.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79502499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).