1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole

C17H16Cl2N2OS — CID 151987624

IUPAC1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCCC1(Cl)CC(Cl)=CS1)n1ccnc1
InChIInChI=1S/C17H16Cl2N2OS/c1-13(21-8-7-20-12-21)15-4-2-3-5-16(15)22-9-6-17(19)10-14(18)11-23-17/h2-5,7-8,11-12H,1,6,9-10H2
InChIKeyUDZMJJQYCZBEQR-UHFFFAOYSA-N
MW367.30 g/mol
LogP5.32
Rot. Bonds6

About 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole

1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole (PubChem CID 151987624) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole
PubChem CID151987624
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC Name1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCCC1(Cl)CC(Cl)=CS1)n1ccnc1
InChIInChI=1S/C17H16Cl2N2OS/c1-13(21-8-7-20-12-21)15-4-2-3-5-16(15)22-9-6-17(19)10-14(18)11-23-17/h2-5,7-8,11-12H,1,6,9-10H2
InChIKeyUDZMJJQYCZBEQR-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.30
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole
CID 3007472
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
N-(4-chlorophenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24592038
2-[2-(1-imidazol-1-ylethenyl)phenoxy]-N-phenylacetamide
CID 24592029
1-[1-[2-[1-(4-chlorophenyl)ethoxy]phenyl]ethenyl]imidazole
CID 3007480
1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole
CID 24633273
N-(4-chloro-2-methylphenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633242
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
CID 3007515
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633206
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
CID 67412800

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole (CID 151987624) is 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole is C=C(c1ccccc1OCCC1(Cl)CC(Cl)=CS1)n1ccnc1.
What is the InChIKey of 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole?
The InChIKey is UDZMJJQYCZBEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c1-13(21-8-7-20-12-21)15-4-2-3-5-16(15)22-9-6-17(19)10-14(18)11-23-17/h2-5,7-8,11-12H,1,6,9-10H2.
What are the key properties of 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole?
1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole has a molecular weight of 367.30 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole is sourced from PubChem (CID 151987624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).