N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

C26H41N3O2 — CID 16973329

IUPACN-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCCn1c(C(C)NC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C26H41N3O2/c1-3-4-5-6-7-8-9-10-11-14-19-29-23-17-13-12-16-22(23)28-25(29)21(2)27-26(30)24-18-15-20-31-24/h12-13,16-17,21,24H,3-11,14-15,18-20H2,1-2H3,(H,27,30)
InChIKeyIHNACFYKYWIHJL-UHFFFAOYSA-N
MW427.63 g/mol
LogP6.31
Rot. Bonds14

About N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 16973329) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID16973329
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC NameN-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCCn1c(C(C)NC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C26H41N3O2/c1-3-4-5-6-7-8-9-10-11-14-19-29-23-17-13-12-16-22(23)28-25(29)21(2)27-26(30)24-18-15-20-31-24/h12-13,16-17,21,24H,3-11,14-15,18-20H2,1-2H3,(H,27,30)
InChIKeyIHNACFYKYWIHJL-UHFFFAOYSA-N
XLogP6.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 56.31
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-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16973462
N-[1-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973384
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973385
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030123

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (CID 16973329) is N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is CCCCCCCCCCCCn1c(C(C)NC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is IHNACFYKYWIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-3-4-5-6-7-8-9-10-11-14-19-29-23-17-13-12-16-22(23)28-25(29)21(2)27-26(30)24-18-15-20-31-24/h12-13,16-17,21,24H,3-11,14-15,18-20H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 427.63 g/mol, XLogP of 6.31, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16973329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).