N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C20H19N3S — CID 826635

IUPACN-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(Sc2cccc3ccccc23)c(CNC2=NCCN2)c1
InChIInChI=1S/C20H19N3S/c1-3-9-17-15(6-1)8-5-11-19(17)24-18-10-4-2-7-16(18)14-23-20-21-12-13-22-20/h1-11H,12-14H2,(H2,21,22,23)
InChIKeyLHILIMCFIJCSHA-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.04
Rot. Bonds4

About N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 826635) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID826635
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC NameN-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(Sc2cccc3ccccc23)c(CNC2=NCCN2)c1
InChIInChI=1S/C20H19N3S/c1-3-9-17-15(6-1)8-5-11-19(17)24-18-10-4-2-7-16(18)14-23-20-21-12-13-22-20/h1-11H,12-14H2,(H2,21,22,23)
InChIKeyLHILIMCFIJCSHA-UHFFFAOYSA-N
XLogP4.04
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 826635) is N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is c1ccc(Sc2cccc3ccccc23)c(CNC2=NCCN2)c1.
What is the InChIKey of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LHILIMCFIJCSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-3-9-17-15(6-1)8-5-11-19(17)24-18-10-4-2-7-16(18)14-23-20-21-12-13-22-20/h1-11H,12-14H2,(H2,21,22,23).
What are the key properties of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 333.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 826635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).