N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide

C26H41N3O2 — CID 16981785

IUPACN-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-12-20-29-23-16-11-10-15-22(23)28-25(29)18-13-19-27-26(30)24-17-14-21-31-24/h10-11,15-16,24H,2-9,12-14,17-21H2,1H3,(H,27,30)
InChIKeyINLHERXPXGEYPW-UHFFFAOYSA-N
MW427.63 g/mol
LogP5.79
Rot. Bonds15

About N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide

N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide (PubChem CID 16981785) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
PubChem CID16981785
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC NameN-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-12-20-29-23-16-11-10-15-22(23)28-25(29)18-13-19-27-26(30)24-17-14-21-31-24/h10-11,15-16,24H,2-9,12-14,17-21H2,1H3,(H,27,30)
InChIKeyINLHERXPXGEYPW-UHFFFAOYSA-N
XLogP5.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981827
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-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide (CID 16981785) is N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide is CCCCCCCCCCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
The InChIKey is INLHERXPXGEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-12-20-29-23-16-11-10-15-22(23)28-25(29)18-13-19-27-26(30)24-17-14-21-31-24/h10-11,15-16,24H,2-9,12-14,17-21H2,1H3,(H,27,30).
What are the key properties of N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide has a molecular weight of 427.63 g/mol, XLogP of 5.79, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 16981785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).