(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C19H18ClFN2OS — CID 5130042

IUPAC(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C19H18ClFN2OS/c1-12-6-7-13(2)14(10-12)11-25-19-22-8-9-23(19)18(24)17-15(20)4-3-5-16(17)21/h3-7,10H,8-9,11H2,1-2H3
InChIKeyNTDCZZKRCUNWNI-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.84
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 5130042) has the molecular formula C19H18ClFN2OS and a molecular weight of 376.88 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID5130042
Molecular FormulaC19H18ClFN2OS
Molecular Weight376.88 g/mol
Exact Mass376.08
IUPAC Name(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C19H18ClFN2OS/c1-12-6-7-13(2)14(10-12)11-25-19-22-8-9-23(19)18(24)17-15(20)4-3-5-16(17)21/h3-7,10H,8-9,11H2,1-2H3
InChIKeyNTDCZZKRCUNWNI-UHFFFAOYSA-N
XLogP4.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-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

(2,6-dimethoxyphenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3570534
2-(2,4-dichlorophenoxy)-1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3678999
1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 3314468
(2,4-dimethoxyphenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3601741
4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 3314470
[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-fluorophenyl)methanone
CID 5236621
(4-tert-butylphenyl)-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4244807
1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3-methylphenyl)ethanone
CID 3412003
(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 2797972
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-naphthalen-1-ylmethanone
CID 4208332

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 5130042) is (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is Cc1ccc(C)c(CSC2=NCCN2C(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is NTDCZZKRCUNWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2OS/c1-12-6-7-13(2)14(10-12)11-25-19-22-8-9-23(19)18(24)17-15(20)4-3-5-16(17)21/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 376.88 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 5130042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).