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

C16H14Cl2N2S — CID 54304979

IUPAC2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(CSc2ccc(Cl)cc2C2=NCCN2)cc1
InChIInChI=1S/C16H14Cl2N2S/c17-12-3-1-11(2-4-12)10-21-15-6-5-13(18)9-14(15)16-19-7-8-20-16/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeySGVZHLLWEGWNGU-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.64
Rot. Bonds4

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

2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 54304979) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID54304979
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC Name2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(CSc2ccc(Cl)cc2C2=NCCN2)cc1
InChIInChI=1S/C16H14Cl2N2S/c17-12-3-1-11(2-4-12)10-21-15-6-5-13(18)9-14(15)16-19-7-8-20-16/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeySGVZHLLWEGWNGU-UHFFFAOYSA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(2-methylprop-2-enylsulfanyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 23320410
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 137272912
2-[2-[2-(5-chloro-2-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 59715415
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495
2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744813
2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239973
2-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744993
2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10831484
2-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744756
4-[(2,4-dichlorophenyl)sulfanylmethyl]benzenesulfinic acid
CID 118861555
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 171378845

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole (CID 54304979) is 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole is Clc1ccc(CSc2ccc(Cl)cc2C2=NCCN2)cc1.
What is the InChIKey of 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is SGVZHLLWEGWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c17-12-3-1-11(2-4-12)10-21-15-6-5-13(18)9-14(15)16-19-7-8-20-16/h1-6,9H,7-8,10H2,(H,19,20).
What are the key properties of 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 337.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54304979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).