5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine

C13H16ClN3 — CID 55049007

IUPAC5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2ccccc2Cl)c(N)n1CC
InChIInChI=1S/C13H16ClN3/c1-3-11-16-12(13(15)17(11)4-2)9-7-5-6-8-10(9)14/h5-8H,3-4,15H2,1-2H3
InChIKeyNFPVTWWFFIKPLY-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.37
Rot. Bonds3

About 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine

5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine (PubChem CID 55049007) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
PubChem CID55049007
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2ccccc2Cl)c(N)n1CC
InChIInChI=1S/C13H16ClN3/c1-3-11-16-12(13(15)17(11)4-2)9-7-5-6-8-10(9)14/h5-8H,3-4,15H2,1-2H3
InChIKeyNFPVTWWFFIKPLY-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine (CID 55049007) is 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine is CCc1nc(-c2ccccc2Cl)c(N)n1CC.
What is the InChIKey of 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine?
The InChIKey is NFPVTWWFFIKPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-11-16-12(13(15)17(11)4-2)9-7-5-6-8-10(9)14/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine?
5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine has a molecular weight of 249.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine is sourced from PubChem (CID 55049007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).