N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C15H15N3S — CID 11391560

IUPACN-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H15N3S/c1-2-4-13(5-3-1)19-14-8-6-12(7-9-14)18-15-16-10-11-17-15/h1-9H,10-11H2,(H2,16,17,18)
InChIKeyMENZUKGXKJRRNB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.21
Rot. Bonds3

About N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11391560) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11391560
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H15N3S/c1-2-4-13(5-3-1)19-14-8-6-12(7-9-14)18-15-16-10-11-17-15/h1-9H,10-11H2,(H2,16,17,18)
InChIKeyMENZUKGXKJRRNB-UHFFFAOYSA-N
XLogP3.21
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 11391560) is N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine is c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MENZUKGXKJRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-4-13(5-3-1)19-14-8-6-12(7-9-14)18-15-16-10-11-17-15/h1-9H,10-11H2,(H2,16,17,18).
What are the key properties of N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11391560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).