N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine

C18H20N6S — CID 118721295

IUPACN-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc(NC2=NCCN2)cc(Sc2ccc(NC3=NCCN3)cc2)c1
InChIInChI=1S/C18H20N6S/c1-2-14(24-18-21-10-11-22-18)12-16(3-1)25-15-6-4-13(5-7-15)23-17-19-8-9-20-17/h1-7,12H,8-11H2,(H2,19,20,23)(H2,21,22,24)
InChIKeyQOYWWIITMCNNCX-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.58
Rot. Bonds4

About N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 118721295) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID118721295
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc(NC2=NCCN2)cc(Sc2ccc(NC3=NCCN3)cc2)c1
InChIInChI=1S/C18H20N6S/c1-2-14(24-18-21-10-11-22-18)12-16(3-1)25-15-6-4-13(5-7-15)23-17-19-8-9-20-17/h1-7,12H,8-11H2,(H2,19,20,23)(H2,21,22,24)
InChIKeyQOYWWIITMCNNCX-UHFFFAOYSA-N
XLogP2.58
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 118721295) is N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is c1cc(NC2=NCCN2)cc(Sc2ccc(NC3=NCCN3)cc2)c1.
What is the InChIKey of N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QOYWWIITMCNNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-2-14(24-18-21-10-11-22-18)12-16(3-1)25-15-6-4-13(5-7-15)23-17-19-8-9-20-17/h1-7,12H,8-11H2,(H2,19,20,23)(H2,21,22,24).
What are the key properties of N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 118721295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).