N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride

C15H18Cl2N4S — CID 44549238

IUPACN-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H16N4S.2ClH/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)19-15-17-9-10-18-15;;/h1-8H,9-10,16H2,(H2,17,18,19);2*1H
InChIKeyXOTJHTBGRXDSDL-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.63
Rot. Bonds3

About N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride

N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride (PubChem CID 44549238) has the molecular formula C15H18Cl2N4S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride
PubChem CID44549238
Molecular FormulaC15H18Cl2N4S
Molecular Weight357.31 g/mol
Exact Mass356.06
IUPAC NameN-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H16N4S.2ClH/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)19-15-17-9-10-18-15;;/h1-8H,9-10,16H2,(H2,17,18,19);2*1H
InChIKeyXOTJHTBGRXDSDL-UHFFFAOYSA-N
XLogP3.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride?
The IUPAC name of N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride (CID 44549238) is N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride.
What is the SMILES notation for N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride?
The canonical SMILES for N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride is Cl.Cl.Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride?
The InChIKey is XOTJHTBGRXDSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S.2ClH/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)19-15-17-9-10-18-15;;/h1-8H,9-10,16H2,(H2,17,18,19);2*1H.
What are the key properties of N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride?
N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride has a molecular weight of 357.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride is sourced from PubChem (CID 44549238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).