[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone

C23H20Cl2N2O2S — CID 4675099

IUPAC[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN=C1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N2O2S/c1-2-29-20-10-8-15-5-3-4-6-18(15)21(20)22(28)27-12-11-26-23(27)30-14-16-7-9-17(24)13-19(16)25/h3-10,13H,2,11-12,14H2,1H3
InChIKeyBIPUZWPBUWOGDU-UHFFFAOYSA-N
MW459.40 g/mol
LogP6.29
Rot. Bonds5

About [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone

[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone (PubChem CID 4675099) has the molecular formula C23H20Cl2N2O2S and a molecular weight of 459.40 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
PubChem CID4675099
Molecular FormulaC23H20Cl2N2O2S
Molecular Weight459.40 g/mol
Exact Mass458.06
IUPAC Name[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN=C1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N2O2S/c1-2-29-20-10-8-15-5-3-4-6-18(15)21(20)22(28)27-12-11-26-23(27)30-14-16-7-9-17(24)13-19(16)25/h3-10,13H,2,11-12,14H2,1H3
InChIKeyBIPUZWPBUWOGDU-UHFFFAOYSA-N
XLogP6.29
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.40
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-naphthalen-1-ylmethanone
CID 4208332
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4585998
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone
CID 4156093
(2,5-dichlorophenyl)-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4641018
2-chloro-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4176375
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-fluorophenyl)methanone
CID 4197618
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 3568673
2-(2,4-dichlorophenoxy)-1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3678999
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
CID 4572713
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4585995

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone (CID 4675099) is [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCN=C1SCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The InChIKey is BIPUZWPBUWOGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2S/c1-2-29-20-10-8-15-5-3-4-6-18(15)21(20)22(28)27-12-11-26-23(27)30-14-16-7-9-17(24)13-19(16)25/h3-10,13H,2,11-12,14H2,1H3.
What are the key properties of [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone has a molecular weight of 459.40 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 4675099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).