1-[4-(2-methoxyphenoxy)butyl]benzimidazole

C18H20N2O2 — CID 16994969

IUPAC1-[4-(2-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccccc1OCCCCn1cnc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-21-17-10-4-5-11-18(17)22-13-7-6-12-20-14-19-15-8-2-3-9-16(15)20/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyCTOOXUHDQGHRTG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.90
Rot. Bonds7

About 1-[4-(2-methoxyphenoxy)butyl]benzimidazole

1-[4-(2-methoxyphenoxy)butyl]benzimidazole (PubChem CID 16994969) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)butyl]benzimidazole
PubChem CID16994969
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[4-(2-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccccc1OCCCCn1cnc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-21-17-10-4-5-11-18(17)22-13-7-6-12-20-14-19-15-8-2-3-9-16(15)20/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyCTOOXUHDQGHRTG-UHFFFAOYSA-N
XLogP3.90
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.90
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-bromophenoxy)butyl]benzimidazole;hydrochloride
CID 2965821
1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]benzimidazole;oxalic acid
CID 2966036
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole;oxalic acid
CID 2949443
1-(6-chlorohexyl)benzimidazole
CID 62228178
bis(1-butylbenzimidazole);ethane
CID 142164287
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
1-[3-(benzimidazol-1-yl)propyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51291145
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
The IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]benzimidazole (CID 16994969) is 1-[4-(2-methoxyphenoxy)butyl]benzimidazole.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)butyl]benzimidazole is COc1ccccc1OCCCCn1cnc2ccccc21.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
The InChIKey is CTOOXUHDQGHRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-21-17-10-4-5-11-18(17)22-13-7-6-12-20-14-19-15-8-2-3-9-16(15)20/h2-5,8-11,14H,6-7,12-13H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
1-[4-(2-methoxyphenoxy)butyl]benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16994969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).