5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine

C12H13Cl2N3 — CID 62018478

IUPAC5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C12H13Cl2N3/c1-2-5-17-7-16-11(12(17)15)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5,15H2,1H3
InChIKeyXVYGKYZYSBCWCB-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.85
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine

5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine (PubChem CID 62018478) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
PubChem CID62018478
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C12H13Cl2N3/c1-2-5-17-7-16-11(12(17)15)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5,15H2,1H3
InChIKeyXVYGKYZYSBCWCB-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine (CID 62018478) is 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine is CCCn1cnc(-c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine?
The InChIKey is XVYGKYZYSBCWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-5-17-7-16-11(12(17)15)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5,15H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine?
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine has a molecular weight of 270.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine is sourced from PubChem (CID 62018478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).