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

C10H10ClFN2S — CID 724187

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CSC1=NCCN1
InChIInChI=1S/C10H10ClFN2S/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14)
InChIKeyBGCUMNHQGSCINR-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.67
Rot. Bonds2

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

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 724187) has the molecular formula C10H10ClFN2S and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID724187
Molecular FormulaC10H10ClFN2S
Molecular Weight244.72 g/mol
Exact Mass244.02
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CSC1=NCCN1
InChIInChI=1S/C10H10ClFN2S/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14)
InChIKeyBGCUMNHQGSCINR-UHFFFAOYSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
2-[(2-chlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CID 2936217
2-[(2-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 2936645
2-{[(2-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 573297
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 409779
2-Thiazoline, 2-((o-chlorobenzyl)amino)-
CID 3055295
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 2806596
2-chlorobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
CID 660766
2-chloro-6-fluorobenzyl N'-cyano-N-ethylimidothiocarbamate
CID 4290043
3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
2-{[(3-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 23685
2-[(2-fluorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CID 2921931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 724187) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Fc1cccc(Cl)c1CSC1=NCCN1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is BGCUMNHQGSCINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2S/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 244.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 724187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).