1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole

C20H19ClN2OS — CID 3007472

IUPAC1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCCCSc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C20H19ClN2OS/c1-16(23-12-11-22-15-23)19-5-2-3-6-20(19)24-13-4-14-25-18-9-7-17(21)8-10-18/h2-3,5-12,15H,1,4,13-14H2
InChIKeySDDSFYBUEPYDFE-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.62
Rot. Bonds8

About 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole

1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole (PubChem CID 3007472) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole
PubChem CID3007472
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCCCSc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C20H19ClN2OS/c1-16(23-12-11-22-15-23)19-5-2-3-6-20(19)24-13-4-14-25-18-9-7-17(21)8-10-18/h2-3,5-12,15H,1,4,13-14H2
InChIKeySDDSFYBUEPYDFE-UHFFFAOYSA-N
XLogP5.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24592038
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
1-[1-[2-[1-(4-chlorophenyl)ethoxy]phenyl]ethenyl]imidazole
CID 3007480
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole
CID 151987624
N-(4-chloro-2-methylphenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633242
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633206
2-[2-(1-imidazol-1-ylethenyl)phenoxy]-N-phenylacetamide
CID 24592029
1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole
CID 24633273
1-[1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007491
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole (CID 3007472) is 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole is C=C(c1ccccc1OCCCSc1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole?
The InChIKey is SDDSFYBUEPYDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-16(23-12-11-22-15-23)19-5-2-3-6-20(19)24-13-4-14-25-18-9-7-17(21)8-10-18/h2-3,5-12,15H,1,4,13-14H2.
What are the key properties of 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole?
1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole has a molecular weight of 370.91 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).