[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone

C14H15ClN2OS — CID 5085871

IUPAC[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C14H15ClN2OS/c15-12-4-2-1-3-11(12)9-19-14-16-7-8-17(14)13(18)10-5-6-10/h1-4,10H,5-9H2
InChIKeyGKBYGDYIBQSSSG-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.18
Rot. Bonds3

About [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone

[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone (PubChem CID 5085871) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
PubChem CID5085871
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C14H15ClN2OS/c15-12-4-2-1-3-11(12)9-19-14-16-7-8-17(14)13(18)10-5-6-10/h1-4,10H,5-9H2
InChIKeyGKBYGDYIBQSSSG-UHFFFAOYSA-N
XLogP3.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-((3-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 3467552
Cyclopropyl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3238325
1-(2-((4-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one
CID 3241414
cyclopropyl(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 4230313
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone
CID 4547450
1-[2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4612415
1-[2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 4440197
2-[2-(2-Chlorobenzylidene)hydrazono]-3-(cyclopropylmethyl)-1,3-thiazolan-4-one
CID 9566438
cyclopropyl(2-((4-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3238949
2-[(4-chlorobenzyl)thio]-1-(cyclopropylcarbonyl)-4,5-dihydro-1H-imidazole
CID 3244427
1-[2-[(4-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3249369
Cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4143790

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone (CID 5085871) is [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN=C1SCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The InChIKey is GKBYGDYIBQSSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-12-4-2-1-3-11(12)9-19-14-16-7-8-17(14)13(18)10-5-6-10/h1-4,10H,5-9H2.
What are the key properties of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone has a molecular weight of 294.81 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 5085871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).