(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone

C14H16N2OS — CID 4547450

IUPAC(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C14H16N2OS/c17-13(12-6-7-12)16-9-8-15-14(16)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyUDDFRVZYRABJNZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.53
Rot. Bonds3

About (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone

(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone (PubChem CID 4547450) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone
PubChem CID4547450
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C14H16N2OS/c17-13(12-6-7-12)16-9-8-15-14(16)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyUDDFRVZYRABJNZ-UHFFFAOYSA-N
XLogP2.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-
CID 43541
Cyclopropyl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3238325
1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 3242006
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 3609825
1-[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4101503
cyclopropyl(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 4230313
(2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(cyclopropyl)methanone
CID 5085871
1-[2-[(2,5-Dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 3544830
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4092915
1-[2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 4419939
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 5212505
1-[2-[(3-Methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5227973

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone?
The IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone (CID 4547450) is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone?
The canonical SMILES for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone is O=C(C1CC1)N1CCN=C1SCc1ccccc1.
What is the InChIKey of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone?
The InChIKey is UDDFRVZYRABJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-13(12-6-7-12)16-9-8-15-14(16)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone?
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone has a molecular weight of 260.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 4547450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).