2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole

C16H14ClFN2S — CID 22744773

IUPAC2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CSc1ccccc1C1=NCCN1
InChIInChI=1S/C16H14ClFN2S/c17-13-5-3-6-14(18)12(13)10-21-15-7-2-1-4-11(15)16-19-8-9-20-16/h1-7H,8-10H2,(H,19,20)
InChIKeyHNKHRELQAZCOCP-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole

2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 22744773) has the molecular formula C16H14ClFN2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID22744773
Molecular FormulaC16H14ClFN2S
Molecular Weight320.82 g/mol
Exact Mass320.06
IUPAC Name2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CSc1ccccc1C1=NCCN1
InChIInChI=1S/C16H14ClFN2S/c17-13-5-3-6-14(18)12(13)10-21-15-7-2-1-4-11(15)16-19-8-9-20-16/h1-7H,8-10H2,(H,19,20)
InChIKeyHNKHRELQAZCOCP-UHFFFAOYSA-N
XLogP4.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-Chloro-6-fluoro-benzylsulfanyl)-phenyl]-1,4,5,6-tetrahydro-pyrimidine
CID 605683
2-[2-(4-Chloro-phenylsulfanyl)-phenyl]-4,5-dihydro-1H-imidazole
CID 44353736
2-[2-(2,5-Dichloro-thiophen-3-ylmethylsulfanyl)-phenyl]-1,4,5,6-tetrahydro-pyrimidine
CID 2806083
2-[2-(4-chlorophenyl)sulfinylphenyl]-4,5-dihydro-1H-imidazole
CID 388683
2-[2-(4-chlorophenyl)sulfonylphenyl]-4,5-dihydro-1H-imidazole
CID 388684
2-[2-(2,6-Difluoro-benzylsulfanyl)-phenyl]-1,4,5,6-tetrahydro-pyrimidine
CID 2804382
2-[2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine bromide
CID 45108811
2-[2-(2-chlorophenyl)-5-fluoro-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
CID 10286601
2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 22744859
2-[2-[(4-Fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744987
2-[2-[(2-Fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744993
2-[2-[[3-(3-Chloro-4-fluorophenyl)phenyl]methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 71100135

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole (CID 22744773) is 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(Cl)c1CSc1ccccc1C1=NCCN1.
What is the InChIKey of 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is HNKHRELQAZCOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2S/c17-13-5-3-6-14(18)12(13)10-21-15-7-2-1-4-11(15)16-19-8-9-20-16/h1-7H,8-10H2,(H,19,20).
What are the key properties of 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 320.82 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22744773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).