1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole

C11H14N2OS — CID 87885199

IUPAC1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCOc1cccc(CSN2C=NCC2)c1
InChIInChI=1S/C11H14N2OS/c1-14-11-4-2-3-10(7-11)8-15-13-6-5-12-9-13/h2-4,7,9H,5-6,8H2,1H3
InChIKeyCAAJXCUOGKYCTI-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.19
Rot. Bonds4

About 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole

1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 87885199) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID87885199
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCOc1cccc(CSN2C=NCC2)c1
InChIInChI=1S/C11H14N2OS/c1-14-11-4-2-3-10(7-11)8-15-13-6-5-12-9-13/h2-4,7,9H,5-6,8H2,1H3
InChIKeyCAAJXCUOGKYCTI-UHFFFAOYSA-N
XLogP2.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
1-[1-(2,3-dichlorophenyl)-2-(3-methoxyphenyl)ethyl]-4,5-dihydroimidazole
CID 141305735
CID 87640434
CID 87640434
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-methoxyphenyl)methanethiol
CID 10749403
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 87885199) is 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole is COc1cccc(CSN2C=NCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is CAAJXCUOGKYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-14-11-4-2-3-10(7-11)8-15-13-6-5-12-9-13/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 222.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 87885199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).