1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole

C22H18Cl2N2O — CID 16729034

IUPAC1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole
SMILESClc1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1Cl
InChIInChI=1S/C22H18Cl2N2O/c23-18-11-10-16(12-19(18)24)14-27-22(17-6-2-1-3-7-17)13-26-15-25-20-8-4-5-9-21(20)26/h1-12,15,22H,13-14H2
InChIKeyWQTGGZCYHSPVFA-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.30
Rot. Bonds6

About 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole

1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole (PubChem CID 16729034) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole
PubChem CID16729034
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC Name1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole
SMILESClc1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1Cl
InChIInChI=1S/C22H18Cl2N2O/c23-18-11-10-16(12-19(18)24)14-27-22(17-6-2-1-3-7-17)13-26-15-25-20-8-4-5-9-21(20)26/h1-12,15,22H,13-14H2
InChIKeyWQTGGZCYHSPVFA-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-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole?
The IUPAC name of 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole (CID 16729034) is 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole.
What is the SMILES notation for 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole?
The canonical SMILES for 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole is Clc1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1Cl.
What is the InChIKey of 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole?
The InChIKey is WQTGGZCYHSPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c23-18-11-10-16(12-19(18)24)14-27-22(17-6-2-1-3-7-17)13-26-15-25-20-8-4-5-9-21(20)26/h1-12,15,22H,13-14H2.
What are the key properties of 1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole?
1-[2-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole 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-[(3,4-dichlorophenyl)methoxy]-2-phenylethyl]benzimidazole is sourced from PubChem (CID 16729034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).