(2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C11H10F2N2OS — CID 3243830

IUPAC(2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1c(F)cccc1F
InChIInChI=1S/C11H10F2N2OS/c1-17-11-14-5-6-15(11)10(16)9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3
InChIKeyZCGCNPAEOOOHCY-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.14
Rot. Bonds1

About (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

(2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3243830) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3243830
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1c(F)cccc1F
InChIInChI=1S/C11H10F2N2OS/c1-17-11-14-5-6-15(11)10(16)9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3
InChIKeyZCGCNPAEOOOHCY-UHFFFAOYSA-N
XLogP2.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 821560
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 73669854
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 924634
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(p-tolyl)methanone
CID 3450649
N-[(2E)-3-ethyl-4-methyl-1,3-thiazol-2(3H)-ylidene]benzamide
CID 3235754
(2-chloro-6-fluorophenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3236434
2-fluoro-N-[3-methyl-1,3-thiazol-2(3H)-yliden]benzenecarboxamide
CID 3723865
(2-fluorophenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 801421

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3243830) is (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is ZCGCNPAEOOOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-17-11-14-5-6-15(11)10(16)9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 256.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3243830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).