N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide

C21H28N4O3 — CID 16981912

IUPACN-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCC1)C1CCCO1
InChIInChI=1S/C21H28N4O3/c26-20(24-12-3-4-13-24)15-25-17-8-2-1-7-16(17)23-19(25)10-5-11-22-21(27)18-9-6-14-28-18/h1-2,7-8,18H,3-6,9-15H2,(H,22,27)
InChIKeyWKNLUTITAYCRDT-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.89
Rot. Bonds7

About N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide

N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide (PubChem CID 16981912) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
PubChem CID16981912
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCC1)C1CCCO1
InChIInChI=1S/C21H28N4O3/c26-20(24-12-3-4-13-24)15-25-17-8-2-1-7-16(17)23-19(25)10-5-11-22-21(27)18-9-6-14-28-18/h1-2,7-8,18H,3-6,9-15H2,(H,22,27)
InChIKeyWKNLUTITAYCRDT-UHFFFAOYSA-N
XLogP1.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.89
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-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981804
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981794
N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994482
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 17031223
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030599

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide (CID 16981912) is N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide is O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCC1)C1CCCO1.
What is the InChIKey of N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The InChIKey is WKNLUTITAYCRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-20(24-12-3-4-13-24)15-25-17-8-2-1-7-16(17)23-19(25)10-5-11-22-21(27)18-9-6-14-28-18/h1-2,7-8,18H,3-6,9-15H2,(H,22,27).
What are the key properties of N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 16981912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).