5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

C15H19Cl2N3 — CID 62219798

IUPAC5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cccc(Cl)c2Cl)c(N)n1C(C)C
InChIInChI=1S/C15H19Cl2N3/c1-8(2)15-19-13(14(18)20(15)9(3)4)10-6-5-7-11(16)12(10)17/h5-9H,18H2,1-4H3
InChIKeyCWSBQDWSRRLSSR-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.14
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (PubChem CID 62219798) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
PubChem CID62219798
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cccc(Cl)c2Cl)c(N)n1C(C)C
InChIInChI=1S/C15H19Cl2N3/c1-8(2)15-19-13(14(18)20(15)9(3)4)10-6-5-7-11(16)12(10)17/h5-9H,18H2,1-4H3
InChIKeyCWSBQDWSRRLSSR-UHFFFAOYSA-N
XLogP5.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (CID 62219798) is 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine is CC(C)c1nc(-c2cccc(Cl)c2Cl)c(N)n1C(C)C.
What is the InChIKey of 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The InChIKey is CWSBQDWSRRLSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-8(2)15-19-13(14(18)20(15)9(3)4)10-6-5-7-11(16)12(10)17/h5-9H,18H2,1-4H3.
What are the key properties of 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine has a molecular weight of 312.24 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine is sourced from PubChem (CID 62219798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).