1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole

C23H22N2O2 — CID 17000531

IUPAC1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
SMILESCOc1ccccc1OCCCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-26-21-14-7-8-15-22(21)27-17-9-16-25-20-13-6-5-12-19(20)24-23(25)18-10-3-2-4-11-18/h2-8,10-15H,9,16-17H2,1H3
InChIKeySVKMPSFKVLGMJA-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.18
Rot. Bonds7

About 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole

1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole (PubChem CID 17000531) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
PubChem CID17000531
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
SMILESCOc1ccccc1OCCCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-26-21-14-7-8-15-22(21)27-17-9-16-25-20-13-6-5-12-19(20)24-23(25)18-10-3-2-4-11-18/h2-8,10-15H,9,16-17H2,1H3
InChIKeySVKMPSFKVLGMJA-UHFFFAOYSA-N
XLogP5.18
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.18
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

1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
CID 17001877
2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504
1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
CID 17000547
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole (CID 17000531) is 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole is COc1ccccc1OCCCn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole?
The InChIKey is SVKMPSFKVLGMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-26-21-14-7-8-15-22(21)27-17-9-16-25-20-13-6-5-12-19(20)24-23(25)18-10-3-2-4-11-18/h2-8,10-15H,9,16-17H2,1H3.
What are the key properties of 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole?
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole has a molecular weight of 358.44 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole is sourced from PubChem (CID 17000531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).