4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione

C14H15N3S — CID 143208328

IUPAC4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione
SMILESCC(C1=CCCc2ncccc21)c1c[nH]c(=S)[nH]1
InChIInChI=1S/C14H15N3S/c1-9(13-8-16-14(18)17-13)10-4-2-6-12-11(10)5-3-7-15-12/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18)
InChIKeyBFMQRNIZJIUUGW-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.60
Rot. Bonds2

About 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione

4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione (PubChem CID 143208328) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione
PubChem CID143208328
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione
SMILESCC(C1=CCCc2ncccc21)c1c[nH]c(=S)[nH]1
InChIInChI=1S/C14H15N3S/c1-9(13-8-16-14(18)17-13)10-4-2-6-12-11(10)5-3-7-15-12/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18)
InChIKeyBFMQRNIZJIUUGW-UHFFFAOYSA-N
XLogP3.60
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione with MolForge

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Related Compounds

ethane;5-ethenyl-7,8-dihydroquinoline
CID 177360263
[1-(7,8-dihydroquinolin-5-yl)-2-methylpropan-2-yl]-hydroxy-dimethylsilane
CID 67603949
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline
CID 168807573
9-methyl-6,7-dihydro-5H-pyrido[3,2-b]indole
CID 143904259
2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 163258093
5-ethylidene-7,8-dihydro-6H-quinoline
CID 164582583
5,6,7,8-tetramethyl-9H-indeno[2,1-b]pyridine
CID 157054008
5,6,7,8,9,10-hexahydropyrido[2,3-c]carbazol-11-one
CID 12050791
ethane;4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 161226804
5,6-dihydro-1,7-phenanthroline
CID 69016308
6-fluoro-7,8-dihydro-6H-quinolin-5-one
CID 166885117
2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione
CID 106519697

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione (CID 143208328) is 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione is CC(C1=CCCc2ncccc21)c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is BFMQRNIZJIUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9(13-8-16-14(18)17-13)10-4-2-6-12-11(10)5-3-7-15-12/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18).
What are the key properties of 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione?
4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 257.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7,8-dihydroquinolin-5-yl)ethyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 143208328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).