1-(4-methoxybutyl)-2-methylbenzimidazole

C13H18N2O — CID 104649828

IUPAC1-(4-methoxybutyl)-2-methylbenzimidazole
SMILESCOCCCCn1c(C)nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-11-14-12-7-3-4-8-13(12)15(11)9-5-6-10-16-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyFZBHDWMONJVKGO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-methoxybutyl)-2-methylbenzimidazole

1-(4-methoxybutyl)-2-methylbenzimidazole (PubChem CID 104649828) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(4-methoxybutyl)-2-methylbenzimidazole
PubChem CID104649828
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-methoxybutyl)-2-methylbenzimidazole
SMILESCOCCCCn1c(C)nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-11-14-12-7-3-4-8-13(12)15(11)9-5-6-10-16-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyFZBHDWMONJVKGO-UHFFFAOYSA-N
XLogP2.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
CID 16995249
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110975119
6-(2-methylbenzimidazol-1-yl)hexanal
CID 169157761
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-[3-(2,3-dimethylphenoxy)propyl]-2-methylbenzimidazole
CID 16995230
1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-2-methylbenzimidazole?
The IUPAC name of 1-(4-methoxybutyl)-2-methylbenzimidazole (CID 104649828) is 1-(4-methoxybutyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(4-methoxybutyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(4-methoxybutyl)-2-methylbenzimidazole is COCCCCn1c(C)nc2ccccc21.
What is the InChIKey of 1-(4-methoxybutyl)-2-methylbenzimidazole?
The InChIKey is FZBHDWMONJVKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-14-12-7-3-4-8-13(12)15(11)9-5-6-10-16-2/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(4-methoxybutyl)-2-methylbenzimidazole?
1-(4-methoxybutyl)-2-methylbenzimidazole has a molecular weight of 218.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-2-methylbenzimidazole is sourced from PubChem (CID 104649828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).