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

C30H49N3O2 — CID 16975315

IUPACN-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCCCCCCn1c(CCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C30H49N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-33-27-20-16-15-19-26(27)32-29(33)22-23-31-30(34)28-21-18-25-35-28/h15-16,19-20,28H,2-14,17-18,21-25H2,1H3,(H,31,34)
InChIKeyGNEATASTPZIOFX-UHFFFAOYSA-N
MW483.74 g/mol
LogP7.36
Rot. Bonds19

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

N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 16975315) has the molecular formula C30H49N3O2 and a molecular weight of 483.74 g/mol. Its IUPAC name is N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID16975315
Molecular FormulaC30H49N3O2
Molecular Weight483.74 g/mol
Exact Mass483.38
IUPAC NameN-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCCCCCCn1c(CCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C30H49N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-33-27-20-16-15-19-26(27)32-29(33)22-23-31-30(34)28-21-18-25-35-28/h15-16,19-20,28H,2-14,17-18,21-25H2,1H3,(H,31,34)
InChIKeyGNEATASTPZIOFX-UHFFFAOYSA-N
XLogP7.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 57.36
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-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975415
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030558
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (CID 16975315) is N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is CCCCCCCCCCCCCCCCn1c(CCNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is GNEATASTPZIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-33-27-20-16-15-19-26(27)32-29(33)22-23-31-30(34)28-21-18-25-35-28/h15-16,19-20,28H,2-14,17-18,21-25H2,1H3,(H,31,34).
What are the key properties of N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 483.74 g/mol, XLogP of 7.36, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16975315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).