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

C10H11ClN2S — CID 2806596

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyMRKZZXDCOQKXGF-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.53
Rot. Bonds2

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

2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 2806596) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID2806596
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyMRKZZXDCOQKXGF-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

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
N-(2-chlorobenzyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 935473
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 724187
3-(2-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acrylamide
CID 897650
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-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 2806596) is 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Clc1ccccc1CSC1=NCCN1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is MRKZZXDCOQKXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[(2-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-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 2806596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).