5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine

C12H15Cl2N3 — CID 79509195

IUPAC5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3/c1-2-3-17-11(7-16-12(17)15)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7H2,1H3,(H2,15,16)
InChIKeyIIEMRMCUHFYMAF-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.07
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine

5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 79509195) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine
PubChem CID79509195
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3/c1-2-3-17-11(7-16-12(17)15)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7H2,1H3,(H2,15,16)
InChIKeyIIEMRMCUHFYMAF-UHFFFAOYSA-N
XLogP3.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine (CID 79509195) is 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine is CCCN1C(N)=NCC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is IIEMRMCUHFYMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-2-3-17-11(7-16-12(17)15)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7H2,1H3,(H2,15,16).
What are the key properties of 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine?
5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 272.18 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).