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

C11H11FN2OS — CID 3236905

IUPAC(2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccccc1F
InChIInChI=1S/C11H11FN2OS/c1-16-11-13-6-7-14(11)10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyAJLXZOMOYYPBTR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.00
Rot. Bonds1

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

(2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3236905) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3236905
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name(2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccccc1F
InChIInChI=1S/C11H11FN2OS/c1-16-11-13-6-7-14(11)10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyAJLXZOMOYYPBTR-UHFFFAOYSA-N
XLogP2.00
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
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
N-(3,4-dimethyl-2-thiazolylidene)benzamide
CID 900891
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669182
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 73669854
N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
CID 102273912
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

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3236905) is (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is AJLXZOMOYYPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-16-11-13-6-7-14(11)10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3.
What are the key properties of (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3236905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).