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

C18H15ClN2O — CID 2880

IUPAC1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2
InChIKeyWHPAGCJNPTUGGD-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.63
Rot. Bonds5

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

1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole (PubChem CID 2880) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole
PubChem CID2880
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2
InChIKeyWHPAGCJNPTUGGD-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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Related Compounds

Omoconazole
CID 3033988
Neticonazole
CID 5282433
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
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1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
1-[3-(4-Chloro-3,5-Dimethylphenoxy)benzyl]-1h-Imidazole
CID 71601807
N-(4-chlorophenyl)-N-[3-(1H-imidazol-1-ylmethyl)-4-methoxybenzyl]amine
CID 20956349
2-(3-Chloro-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 9796689
2-(2-Chloro-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697013
4-Imidazol-1-ylmethyl-2-phenoxy-benzonitrile
CID 21697020
2-(2,4-Dichloro-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697057
2-(4-Chloro-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697070
2-(3,4-Dichloro-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697098

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole (CID 2880) is 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole is C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole?
The InChIKey is WHPAGCJNPTUGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2.
What are the key properties of 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole?
1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]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-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole is sourced from PubChem (CID 2880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).