1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole

C18H15ClN2O — CID 3007463

IUPAC1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCc1ccccc1)n1ccnc1
InChIInChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-11-16(19)7-8-18(17)22-12-15-5-3-2-4-6-15/h2-11,13H,1,12H2
InChIKeyXGMAJGBFBJBIAY-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.63
Rot. Bonds5

About 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole

1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole (PubChem CID 3007463) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole
PubChem CID3007463
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCc1ccccc1)n1ccnc1
InChIInChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-11-16(19)7-8-18(17)22-12-15-5-3-2-4-6-15/h2-11,13H,1,12H2
InChIKeyXGMAJGBFBJBIAY-UHFFFAOYSA-N
XLogP4.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.63
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-phenylmethoxyphenyl)ethenyl]imidazole?
The IUPAC name of 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole (CID 3007463) is 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole?
The canonical SMILES for 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole is C=C(c1cc(Cl)ccc1OCc1ccccc1)n1ccnc1.
What is the InChIKey of 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole?
The InChIKey is XGMAJGBFBJBIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-11-16(19)7-8-18(17)22-12-15-5-3-2-4-6-15/h2-11,13H,1,12H2.
What are the key properties of 1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole?
1-[1-(5-chloro-2-phenylmethoxyphenyl)ethenyl]imidazole has a molecular weight of 310.78 g/mol, XLogP of 4.63, 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-phenylmethoxyphenyl)ethenyl]imidazole is sourced from PubChem (CID 3007463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).