1-[2-(4-benzylphenoxy)ethyl]benzimidazole

C22H20N2O — CID 934481

IUPAC1-[2-(4-benzylphenoxy)ethyl]benzimidazole
SMILESc1ccc(Cc2ccc(OCCn3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-2-6-18(7-3-1)16-19-10-12-20(13-11-19)25-15-14-24-17-23-21-8-4-5-9-22(21)24/h1-13,17H,14-16H2
InChIKeyBLAISEDTHHUALY-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.71
Rot. Bonds6

About 1-[2-(4-benzylphenoxy)ethyl]benzimidazole

1-[2-(4-benzylphenoxy)ethyl]benzimidazole (PubChem CID 934481) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]benzimidazole
PubChem CID934481
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]benzimidazole
SMILESc1ccc(Cc2ccc(OCCn3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-2-6-18(7-3-1)16-19-10-12-20(13-11-19)25-15-14-24-17-23-21-8-4-5-9-22(21)24/h1-13,17H,14-16H2
InChIKeyBLAISEDTHHUALY-UHFFFAOYSA-N
XLogP4.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Astemizole
CID 2247
Etonitazene
CID 13493
Protonitazene
CID 156589001
Etodesnitazene
CID 149797386
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Metodesnitazene
CID 26412
N,N-Diethyl-2-((4-(1-methylethoxy)phenyl)methyl)-5-nitro-1H-benzimidazole-1-ethanamine
CID 145721979
Deltarasin
CID 73292904
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]benzimidazole?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]benzimidazole (CID 934481) is 1-[2-(4-benzylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]benzimidazole is c1ccc(Cc2ccc(OCCn3cnc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]benzimidazole?
The InChIKey is BLAISEDTHHUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-2-6-18(7-3-1)16-19-10-12-20(13-11-19)25-15-14-24-17-23-21-8-4-5-9-22(21)24/h1-13,17H,14-16H2.
What are the key properties of 1-[2-(4-benzylphenoxy)ethyl]benzimidazole?
1-[2-(4-benzylphenoxy)ethyl]benzimidazole has a molecular weight of 328.42 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 934481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).