N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C21H28N4O4 — CID 17030599

IUPACN-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(Cn1c(CCNC(=O)C2CCCO2)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C21H28N4O4/c26-20(23-13-15-5-3-11-28-15)14-25-17-7-2-1-6-16(17)24-19(25)9-10-22-21(27)18-8-4-12-29-18/h1-2,6-7,15,18H,3-5,8-14H2,(H,22,27)(H,23,26)
InChIKeyIGCHHMNJSOCLFR-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.17
Rot. Bonds8

About N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 17030599) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID17030599
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(Cn1c(CCNC(=O)C2CCCO2)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C21H28N4O4/c26-20(23-13-15-5-3-11-28-15)14-25-17-7-2-1-6-16(17)24-19(25)9-10-22-21(27)18-8-4-12-29-18/h1-2,6-7,15,18H,3-5,8-14H2,(H,22,27)(H,23,26)
InChIKeyIGCHHMNJSOCLFR-UHFFFAOYSA-N
XLogP1.17
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17030256
N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030558
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030588
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030841
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17031184
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
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-[2-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030577
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 17031223

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 17030599) is N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is O=C(Cn1c(CCNC(=O)C2CCCO2)nc2ccccc21)NCC1CCCO1.
What is the InChIKey of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is IGCHHMNJSOCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c26-20(23-13-15-5-3-11-28-15)14-25-17-7-2-1-6-16(17)24-19(25)9-10-22-21(27)18-8-4-12-29-18/h1-2,6-7,15,18H,3-5,8-14H2,(H,22,27)(H,23,26).
What are the key properties of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 17030599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).