1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole

C25H33N3O — CID 18885099

IUPAC1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
SMILESCCc1ccc(OCCCCn2c(C(C)N3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C25H33N3O/c1-3-21-12-14-22(15-13-21)29-19-9-8-18-28-24-11-5-4-10-23(24)26-25(28)20(2)27-16-6-7-17-27/h4-5,10-15,20H,3,6-9,16-19H2,1-2H3
InChIKeyKRTMUWHUCZUGBD-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.61
Rot. Bonds9

About 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole

1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole (PubChem CID 18885099) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
PubChem CID18885099
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
SMILESCCc1ccc(OCCCCn2c(C(C)N3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C25H33N3O/c1-3-21-12-14-22(15-13-21)29-19-9-8-18-28-24-11-5-4-10-23(24)26-25(28)20(2)27-16-6-7-17-27/h4-5,10-15,20H,3,6-9,16-19H2,1-2H3
InChIKeyKRTMUWHUCZUGBD-UHFFFAOYSA-N
XLogP5.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.61
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-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
1-[4-(2,5-dimethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885088
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009738
1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole?
The IUPAC name of 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole (CID 18885099) is 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole.
What is the SMILES notation for 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole?
The canonical SMILES for 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole is CCc1ccc(OCCCCn2c(C(C)N3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole?
The InChIKey is KRTMUWHUCZUGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-3-21-12-14-22(15-13-21)29-19-9-8-18-28-24-11-5-4-10-23(24)26-25(28)20(2)27-16-6-7-17-27/h4-5,10-15,20H,3,6-9,16-19H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole?
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole has a molecular weight of 391.56 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole is sourced from PubChem (CID 18885099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).