[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone

C24H19BrN2O2S — CID 4067407

IUPAC[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccc(Br)cc1
InChIInChI=1S/C24H19BrN2O2S/c25-17-11-9-16(10-12-17)15-30-24-26-13-14-27(24)23(28)22-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)22/h1-12,22H,13-15H2
InChIKeySZPKTCGHPBDIGX-UHFFFAOYSA-N
MW479.40 g/mol
LogP5.82
Rot. Bonds3

About [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone

[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 4067407) has the molecular formula C24H19BrN2O2S and a molecular weight of 479.40 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
PubChem CID4067407
Molecular FormulaC24H19BrN2O2S
Molecular Weight479.40 g/mol
Exact Mass478.04
IUPAC Name[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccc(Br)cc1
InChIInChI=1S/C24H19BrN2O2S/c25-17-11-9-16(10-12-17)15-30-24-26-13-14-27(24)23(28)22-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)22/h1-12,22H,13-15H2
InChIKeySZPKTCGHPBDIGX-UHFFFAOYSA-N
XLogP5.82
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
CID 4304297
[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone
CID 3393404
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
CID 3541160
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
CID 4190547
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 4206070
(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4537201
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
cyclopentyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4577118
cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4558615
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 4109174
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
(2-chlorophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3644391

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone?
The IUPAC name of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone (CID 4067407) is [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone?
The canonical SMILES for [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccc(Br)cc1.
What is the InChIKey of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone?
The InChIKey is SZPKTCGHPBDIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O2S/c25-17-11-9-16(10-12-17)15-30-24-26-13-14-27(24)23(28)22-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)22/h1-12,22H,13-15H2.
What are the key properties of [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone?
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 479.40 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 4067407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).