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

C19H23N3S — CID 11461526

IUPACN-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C19H23N3S/c1-19(2,3)14-4-8-16(9-5-14)23-17-10-6-15(7-11-17)22-18-20-12-13-21-18/h4-11H,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyZIOWRVYSEUCKST-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.51
Rot. Bonds3

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

N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11461526) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11461526
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC NameN-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C19H23N3S/c1-19(2,3)14-4-8-16(9-5-14)23-17-10-6-15(7-11-17)22-18-20-12-13-21-18/h4-11H,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyZIOWRVYSEUCKST-UHFFFAOYSA-N
XLogP4.51
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11461526) is N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is CC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ZIOWRVYSEUCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-19(2,3)14-4-8-16(9-5-14)23-17-10-6-15(7-11-17)22-18-20-12-13-21-18/h4-11H,12-13H2,1-3H3,(H2,20,21,22).
What are the key properties of N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 325.48 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11461526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).