2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine

C17H15Cl2N3OS — CID 7225358

IUPAC2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine
SMILESNn1cc(-c2ccccc2)nc1SCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3OS/c18-13-6-7-16(14(19)10-13)23-8-9-24-17-21-15(11-22(17)20)12-4-2-1-3-5-12/h1-7,10-11H,8-9,20H2
InChIKeyBOVIWEZJIMDAJE-UHFFFAOYSA-N
MW380.30 g/mol
LogP4.74
Rot. Bonds6

About 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine

2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine (PubChem CID 7225358) has the molecular formula C17H15Cl2N3OS and a molecular weight of 380.30 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine
PubChem CID7225358
Molecular FormulaC17H15Cl2N3OS
Molecular Weight380.30 g/mol
Exact Mass379.03
IUPAC Name2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine
SMILESNn1cc(-c2ccccc2)nc1SCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3OS/c18-13-6-7-16(14(19)10-13)23-8-9-24-17-21-15(11-22(17)20)12-4-2-1-3-5-12/h1-7,10-11H,8-9,20H2
InChIKeyBOVIWEZJIMDAJE-UHFFFAOYSA-N
XLogP4.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1-phenylbenzimidazole
CID 3652950
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 7273058
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
CID 43300675
2-[3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294256
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 3957452
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole
CID 2414671
4-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-2-fluoroaniline
CID 79141281
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43250190
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 78759379
1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene
CID 78910752
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole
CID 7784934
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine (CID 7225358) is 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine is Nn1cc(-c2ccccc2)nc1SCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine?
The InChIKey is BOVIWEZJIMDAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3OS/c18-13-6-7-16(14(19)10-13)23-8-9-24-17-21-15(11-22(17)20)12-4-2-1-3-5-12/h1-7,10-11H,8-9,20H2.
What are the key properties of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine?
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine has a molecular weight of 380.30 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine is sourced from PubChem (CID 7225358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).