1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone

C22H23N3OS — CID 4140078

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C22H23N3OS/c1-16-7-5-11-19(17(16)2)25-14-12-23-22(25)27-15-21(26)24-13-6-9-18-8-3-4-10-20(18)24/h3-5,7-8,10-12,14H,6,9,13,15H2,1-2H3
InChIKeyPNYNWXRDFAUTCI-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.56
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 4140078) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID4140078
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C22H23N3OS/c1-16-7-5-11-19(17(16)2)25-14-12-23-22(25)27-15-21(26)24-13-6-9-18-8-3-4-10-20(18)24/h3-5,7-8,10-12,14H,6,9,13,15H2,1-2H3
InChIKeyPNYNWXRDFAUTCI-UHFFFAOYSA-N
XLogP4.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone (CID 4140078) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone is Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is PNYNWXRDFAUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16-7-5-11-19(17(16)2)25-14-12-23-22(25)27-15-21(26)24-13-6-9-18-8-3-4-10-20(18)24/h3-5,7-8,10-12,14H,6,9,13,15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 377.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 4140078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).