(2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C17H14BrFN2OS — CID 5063646

IUPAC(2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C17H14BrFN2OS/c18-15-7-2-1-6-14(15)16(22)21-9-8-20-17(21)23-11-12-4-3-5-13(19)10-12/h1-7,10H,8-9,11H2
InChIKeyJIVXNNVQLDXABX-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.33
Rot. Bonds3

About (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

(2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 5063646) has the molecular formula C17H14BrFN2OS and a molecular weight of 393.28 g/mol. Its IUPAC name is (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID5063646
Molecular FormulaC17H14BrFN2OS
Molecular Weight393.28 g/mol
Exact Mass392.00
IUPAC Name(2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C17H14BrFN2OS/c18-15-7-2-1-6-14(15)16(22)21-9-8-20-17(21)23-11-12-4-3-5-13(19)10-12/h1-7,10H,8-9,11H2
InChIKeyJIVXNNVQLDXABX-UHFFFAOYSA-N
XLogP4.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 771662
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
N-[4-(3-bromophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669677
N-[4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669678
(2-Bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
CID 2403072
(3-bromophenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3245799
4-bromo-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 71528576
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
CID 744046
[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 3366344
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 4057190
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 4112635
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 4114095

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 5063646) is (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccccc1Br)N1CCN=C1SCc1cccc(F)c1.
What is the InChIKey of (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is JIVXNNVQLDXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2OS/c18-15-7-2-1-6-14(15)16(22)21-9-8-20-17(21)23-11-12-4-3-5-13(19)10-12/h1-7,10H,8-9,11H2.
What are the key properties of (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 393.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 5063646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).