N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride

C19H19Cl2N5O2S — CID 45261621

IUPACN-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride
SMILESCS(=O)(=O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C19H17N5O2S.2ClH/c1-27(25,26)15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24;;/h2-11,13H,12H2,1H3,(H,21,22,23);2*1H
InChIKeyLZDXQGDLZHJYJN-UHFFFAOYSA-N
MW452.37 g/mol
LogP3.67
Rot. Bonds5

About N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride

N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride (PubChem CID 45261621) has the molecular formula C19H19Cl2N5O2S and a molecular weight of 452.37 g/mol. Its IUPAC name is N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride
PubChem CID45261621
Molecular FormulaC19H19Cl2N5O2S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC NameN-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride
SMILESCS(=O)(=O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C19H17N5O2S.2ClH/c1-27(25,26)15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24;;/h2-11,13H,12H2,1H3,(H,21,22,23);2*1H
InChIKeyLZDXQGDLZHJYJN-UHFFFAOYSA-N
XLogP3.67
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride?
The IUPAC name of N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride (CID 45261621) is N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride.
What is the SMILES notation for N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride?
The canonical SMILES for N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride is CS(=O)(=O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.Cl.Cl.
What is the InChIKey of N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride?
The InChIKey is LZDXQGDLZHJYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S.2ClH/c1-27(25,26)15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24;;/h2-11,13H,12H2,1H3,(H,21,22,23);2*1H.
What are the key properties of N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride?
N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride has a molecular weight of 452.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-imidazol-1-yl-6-methylsulfonylquinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 45261621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).