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

C25H39N3O2 — CID 16973996

IUPACN-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCCn1c(CNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C25H39N3O2/c1-2-3-4-5-6-7-8-9-10-13-18-28-22-16-12-11-15-21(22)27-24(28)20-26-25(29)23-17-14-19-30-23/h11-12,15-16,23H,2-10,13-14,17-20H2,1H3,(H,26,29)
InChIKeyJVOJEMZOOWJVPV-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.75
Rot. Bonds14

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

N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 16973996) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID16973996
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC NameN-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCCCCCCCCCCCCn1c(CNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C25H39N3O2/c1-2-3-4-5-6-7-8-9-10-13-18-28-22-16-12-11-15-21(22)27-24(28)20-26-25(29)23-17-14-19-30-23/h11-12,15-16,23H,2-10,13-14,17-20H2,1H3,(H,26,29)
InChIKeyJVOJEMZOOWJVPV-UHFFFAOYSA-N
XLogP5.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.75
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-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16973329
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974106
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974101
N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973985
N-[[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974070

Frequently Asked Questions

What is the IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide (CID 16973996) is N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide is CCCCCCCCCCCCn1c(CNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is JVOJEMZOOWJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-2-3-4-5-6-7-8-9-10-13-18-28-22-16-12-11-15-21(22)27-24(28)20-26-25(29)23-17-14-19-30-23/h11-12,15-16,23H,2-10,13-14,17-20H2,1H3,(H,26,29).
What are the key properties of N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 413.61 g/mol, XLogP of 5.75, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 16973996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).