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

C15H16N4S — CID 44549239

IUPACN-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H16N4S/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)
InChIKeyFTUUCDTXQCEYCZ-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.79
Rot. Bonds3

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

N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 44549239) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID44549239
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H16N4S/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)
InChIKeyFTUUCDTXQCEYCZ-UHFFFAOYSA-N
XLogP2.79
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.79
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?
The IUPAC name of N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 44549239) is N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FTUUCDTXQCEYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/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).
What are the key properties of N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 2.79, 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 is sourced from PubChem (CID 44549239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).