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

C14H15ClN2OS — CID 3244427

IUPAC[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2OS/c15-12-5-1-10(2-6-12)9-19-14-16-7-8-17(14)13(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2
InChIKeyRKXSCUIGOWGMQK-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.18
Rot. Bonds3

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

[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone (PubChem CID 3244427) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
PubChem CID3244427
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2OS/c15-12-5-1-10(2-6-12)9-19-14-16-7-8-17(14)13(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2
InChIKeyRKXSCUIGOWGMQK-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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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The IUPAC name of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone (CID 3244427) is [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN=C1SCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
The InChIKey is RKXSCUIGOWGMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-12-5-1-10(2-6-12)9-19-14-16-7-8-17(14)13(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2.
What are the key properties of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone?
[2-[(4-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-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 3244427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).