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

C16H17N3OS — CID 11392403

IUPACN-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H17N3OS/c1-20-13-4-8-15(9-5-13)21-14-6-2-12(3-7-14)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyUOOXLFWNTJCBFC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.22
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11392403) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11392403
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H17N3OS/c1-20-13-4-8-15(9-5-13)21-14-6-2-12(3-7-14)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyUOOXLFWNTJCBFC-UHFFFAOYSA-N
XLogP3.22
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11392403) is N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UOOXLFWNTJCBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-20-13-4-8-15(9-5-13)21-14-6-2-12(3-7-14)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-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11392403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).