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

C16H17N3S — CID 11414893

IUPACN-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H17N3S/c1-12-2-6-14(7-3-12)20-15-8-4-13(5-9-15)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyURFOFYCQWHHMQD-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.52
Rot. Bonds3

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

N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11414893) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11414893
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H17N3S/c1-12-2-6-14(7-3-12)20-15-8-4-13(5-9-15)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyURFOFYCQWHHMQD-UHFFFAOYSA-N
XLogP3.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11414893) is N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is Cc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is URFOFYCQWHHMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12-2-6-14(7-3-12)20-15-8-4-13(5-9-15)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19).
What are the key properties of N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11414893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).