2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

C10H11ClN2S — CID 23685

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(CSC2=NCCN2)c1
InChIInChI=1S/C10H11ClN2S/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-3,6H,4-5,7H2,(H,12,13)
InChIKeyUCAFMRHQNWJBKU-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.53
Rot. Bonds2

About 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 23685) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID23685
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(CSC2=NCCN2)c1
InChIInChI=1S/C10H11ClN2S/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-3,6H,4-5,7H2,(H,12,13)
InChIKeyUCAFMRHQNWJBKU-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 724187
(2E)-3-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
CID 6075603
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-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 2806596
2-chlorobenzyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
CID 660766
2-[(3,4-Dichlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 6602910
3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
2-{[(3-methylphenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 1711657
2-[(2-fluorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CID 2921931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 23685) is 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Clc1cccc(CSC2=NCCN2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is UCAFMRHQNWJBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-3,6H,4-5,7H2,(H,12,13).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 226.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).