N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine

C15H13Cl2N3S — CID 11473193

IUPACN-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1cccc(Cl)c1Sc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C15H13Cl2N3S/c16-12-2-1-3-13(17)14(12)21-11-6-4-10(5-7-11)20-15-18-8-9-19-15/h1-7H,8-9H2,(H2,18,19,20)
InChIKeyMDGDIDMEPMVPKI-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.52
Rot. Bonds3

About N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11473193) has the molecular formula C15H13Cl2N3S and a molecular weight of 338.26 g/mol. Its IUPAC name is N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11473193
Molecular FormulaC15H13Cl2N3S
Molecular Weight338.26 g/mol
Exact Mass337.02
IUPAC NameN-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1cccc(Cl)c1Sc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C15H13Cl2N3S/c16-12-2-1-3-13(17)14(12)21-11-6-4-10(5-7-11)20-15-18-8-9-19-15/h1-7H,8-9H2,(H2,18,19,20)
InChIKeyMDGDIDMEPMVPKI-UHFFFAOYSA-N
XLogP4.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazol-2-amine, N-[4-[(4-chlorophenyl)thio]phenyl]-4,5-dihydro-
CID 11243628
Guanidine, N-[4-[(4-chlorophenyl)thio]phenyl]-N'-ethyl-
CID 11381211
1H-Imidazol-2-amine, 4,5-dihydro-N-[4-(phenylthio)phenyl]-
CID 11391560
4,4''''-Di(2-Imidazolidinylimino)Diphenyl Sulfide
CID 17755548
N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 11254374
2-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]guanidine;dihydrochloride
CID 44549119
N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride
CID 44549238
2-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]guanidine
CID 44549120
N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44549239
N-[4-(4-chlorophenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20493386
N-[4-(4-chlorophenyl)sulfanylphenyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 20493392
1-[3-Chloro-4-(2,4-dichlorophenyl)sulfanylphenyl]-3-ethylurea
CID 21522439

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11473193) is N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is Clc1cccc(Cl)c1Sc1ccc(NC2=NCCN2)cc1.
What is the InChIKey of N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MDGDIDMEPMVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3S/c16-12-2-1-3-13(17)14(12)21-11-6-4-10(5-7-11)20-15-18-8-9-19-15/h1-7H,8-9H2,(H2,18,19,20).
What are the key properties of N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 338.26 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11473193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).