1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole

C19H17ClN2O — CID 3007465

IUPAC1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCc1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C19H17ClN2O/c1-14-3-5-16(6-4-14)12-23-19-8-7-17(20)11-18(19)15(2)22-10-9-21-13-22/h3-11,13H,2,12H2,1H3
InChIKeyRXYLMHRPAZCVTR-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.94
Rot. Bonds5

About 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole

1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole (PubChem CID 3007465) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole
PubChem CID3007465
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCc1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C19H17ClN2O/c1-14-3-5-16(6-4-14)12-23-19-8-7-17(20)11-18(19)15(2)22-10-9-21-13-22/h3-11,13H,2,12H2,1H3
InChIKeyRXYLMHRPAZCVTR-UHFFFAOYSA-N
XLogP4.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole (CID 3007465) is 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole is C=C(c1cc(Cl)ccc1OCc1ccc(C)cc1)n1ccnc1.
What is the InChIKey of 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole?
The InChIKey is RXYLMHRPAZCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-14-3-5-16(6-4-14)12-23-19-8-7-17(20)11-18(19)15(2)22-10-9-21-13-22/h3-11,13H,2,12H2,1H3.
What are the key properties of 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole?
1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole has a molecular weight of 324.81 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).