N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide

C25H31N3O3 — CID 16994501

IUPACN-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CCOc1ccccc1)C1CCCO1
InChIInChI=1S/C25H31N3O3/c29-25(23-14-9-18-31-23)26-16-8-2-5-15-24-27-21-12-6-7-13-22(21)28(24)17-19-30-20-10-3-1-4-11-20/h1,3-4,6-7,10-13,23H,2,5,8-9,14-19H2,(H,26,29)
InChIKeyUZSKJOAMDLTGRG-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.12
Rot. Bonds11

About N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide

N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide (PubChem CID 16994501) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
PubChem CID16994501
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CCOc1ccccc1)C1CCCO1
InChIInChI=1S/C25H31N3O3/c29-25(23-14-9-18-31-23)26-16-8-2-5-15-24-27-21-12-6-7-13-22(21)28(24)17-19-30-20-10-3-1-4-11-20/h1,3-4,6-7,10-13,23H,2,5,8-9,14-19H2,(H,26,29)
InChIKeyUZSKJOAMDLTGRG-UHFFFAOYSA-N
XLogP4.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994547
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981827
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975361
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981845
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994482
N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975415
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide (CID 16994501) is N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide is O=C(NCCCCCc1nc2ccccc2n1CCOc1ccccc1)C1CCCO1.
What is the InChIKey of N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
The InChIKey is UZSKJOAMDLTGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-25(23-14-9-18-31-23)26-16-8-2-5-15-24-27-21-12-6-7-13-22(21)28(24)17-19-30-20-10-3-1-4-11-20/h1,3-4,6-7,10-13,23H,2,5,8-9,14-19H2,(H,26,29).
What are the key properties of N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide?
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide is sourced from PubChem (CID 16994501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).