(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone

C16H16N2OS — CID 4124860

IUPAC(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCCSC1=NCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H16N2OS/c1-2-20-16-17-10-11-18(16)15(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3
InChIKeyZHVPCDGOLLQMQH-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.40
Rot. Bonds2

About (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone

(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone (PubChem CID 4124860) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone
PubChem CID4124860
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCCSC1=NCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H16N2OS/c1-2-20-16-17-10-11-18(16)15(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3
InChIKeyZHVPCDGOLLQMQH-UHFFFAOYSA-N
XLogP3.40
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-naphthalen-1-ylmethanone
CID 4208332
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
CID 4572713
(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936
methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate
CID 23255761
ethyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate
CID 5130297
(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 880169
(2-ethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4114598
1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
CID 3415570
2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
CID 46299935
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3442350
4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate
CID 57083020

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone (CID 4124860) is (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone is CCSC1=NCCN1C(=O)c1cccc2ccccc12.
What is the InChIKey of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is ZHVPCDGOLLQMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-20-16-17-10-11-18(16)15(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3.
What are the key properties of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone?
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 284.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 4124860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).