1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole

C20H24N2O2 — CID 16996549

IUPAC1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccc(OCCCn2c(C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)20-21-18-7-4-5-8-19(18)22(20)13-6-14-24-17-11-9-16(23-3)10-12-17/h4-5,7-12,15H,6,13-14H2,1-3H3
InChIKeyZECLIWWQEWZUTK-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.64
Rot. Bonds7

About 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole

1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole (PubChem CID 16996549) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
PubChem CID16996549
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccc(OCCCn2c(C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)20-21-18-7-4-5-8-19(18)22(20)13-6-14-24-17-11-9-16(23-3)10-12-17/h4-5,7-12,15H,6,13-14H2,1-3H3
InChIKeyZECLIWWQEWZUTK-UHFFFAOYSA-N
XLogP4.64
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.64
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-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
1-[3-(4-methoxyphenoxy)propyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996265
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996543
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide
CID 7366372
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole (CID 16996549) is 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole is COc1ccc(OCCCn2c(C(C)C)nc3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole?
The InChIKey is ZECLIWWQEWZUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)20-21-18-7-4-5-8-19(18)22(20)13-6-14-24-17-11-9-16(23-3)10-12-17/h4-5,7-12,15H,6,13-14H2,1-3H3.
What are the key properties of 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole?
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole has a molecular weight of 324.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 16996549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).