1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole

C21H26N2O2 — CID 16996559

IUPAC1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccccc1OCCCCn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-16(2)21-22-17-10-4-5-11-18(17)23(21)14-8-9-15-25-20-13-7-6-12-19(20)24-3/h4-7,10-13,16H,8-9,14-15H2,1-3H3
InChIKeyWWAKGGGDWDRBMN-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.03
Rot. Bonds8

About 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole

1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole (PubChem CID 16996559) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
PubChem CID16996559
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccccc1OCCCCn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-16(2)21-22-17-10-4-5-11-18(17)23(21)14-8-9-15-25-20-13-7-6-12-19(20)24-3/h4-7,10-13,16H,8-9,14-15H2,1-3H3
InChIKeyWWAKGGGDWDRBMN-UHFFFAOYSA-N
XLogP5.03
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.03
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-methoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16968045
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515
3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
1-[4-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565
2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16987294
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973684
(Z)-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970375
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
CID 16995165

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole (CID 16996559) is 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole is COc1ccccc1OCCCCn1c(C(C)C)nc2ccccc21.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole?
The InChIKey is WWAKGGGDWDRBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)21-22-17-10-4-5-11-18(17)23(21)14-8-9-15-25-20-13-7-6-12-19(20)24-3/h4-7,10-13,16H,8-9,14-15H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole?
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole has a molecular weight of 338.45 g/mol, XLogP of 5.03, 8 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]-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 16996559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).