1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole

C22H18Cl2N2O — CID 3009087

IUPAC1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole
SMILESClc1ccc(COC(Cn2ccnc2)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O/c23-20-8-7-19(21(24)12-20)14-27-22(13-26-10-9-25-15-26)18-6-5-16-3-1-2-4-17(16)11-18/h1-12,15,22H,13-14H2
InChIKeyYQLDCMVKSMQCAZ-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.30
Rot. Bonds6

About 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole

1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole (PubChem CID 3009087) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole
PubChem CID3009087
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC Name1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole
SMILESClc1ccc(COC(Cn2ccnc2)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O/c23-20-8-7-19(21(24)12-20)14-27-22(13-26-10-9-25-15-26)18-6-5-16-3-1-2-4-17(16)11-18/h1-12,15,22H,13-14H2
InChIKeyYQLDCMVKSMQCAZ-UHFFFAOYSA-N
XLogP6.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole (CID 3009087) is 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole is Clc1ccc(COC(Cn2ccnc2)c2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole?
The InChIKey is YQLDCMVKSMQCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c23-20-8-7-19(21(24)12-20)14-27-22(13-26-10-9-25-15-26)18-6-5-16-3-1-2-4-17(16)11-18/h1-12,15,22H,13-14H2.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole?
1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole has a molecular weight of 397.31 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methoxy]-2-naphthalen-2-ylethyl]imidazole is sourced from PubChem (CID 3009087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).