1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole

C25H26N2O2 — CID 16996152

IUPAC1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(Cc3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-19-9-3-4-10-20(19)17-25-26-23-13-5-6-14-24(23)27(25)15-8-16-29-22-12-7-11-21(18-22)28-2/h3-7,9-14,18H,8,15-17H2,1-2H3
InChIKeyONYRRFRWIOMJRY-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.41
Rot. Bonds8

About 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole

1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 16996152) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
PubChem CID16996152
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(Cc3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-19-9-3-4-10-20(19)17-25-26-23-13-5-6-14-24(23)27(25)15-8-16-29-22-12-7-11-21(18-22)28-2/h3-7,9-14,18H,8,15-17H2,1-2H3
InChIKeyONYRRFRWIOMJRY-UHFFFAOYSA-N
XLogP5.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole (CID 16996152) is 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole is COc1cccc(OCCCn2c(Cc3ccccc3C)nc3ccccc32)c1.
What is the InChIKey of 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is ONYRRFRWIOMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19-9-3-4-10-20(19)17-25-26-23-13-5-6-14-24(23)27(25)15-8-16-29-22-12-7-11-21(18-22)28-2/h3-7,9-14,18H,8,15-17H2,1-2H3.
What are the key properties of 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole?
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16996152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).