methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate

C17H21N3O4 — CID 16973462

IUPACmethyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(C)NC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C17H21N3O4/c1-11(18-17(22)14-8-5-9-24-14)16-19-12-6-3-4-7-13(12)20(16)10-15(21)23-2/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,22)
InChIKeyUAXVONZQZCKTFW-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate

methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate (PubChem CID 16973462) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
PubChem CID16973462
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemethyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(C)NC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C17H21N3O4/c1-11(18-17(22)14-8-5-9-24-14)16-19-12-6-3-4-7-13(12)20(16)10-15(21)23-2/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,22)
InChIKeyUAXVONZQZCKTFW-UHFFFAOYSA-N
XLogP1.57
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
N-[1-[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030123
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16973329
N-[1-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973384
N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030150
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973385
N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030134
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973343
methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17009764
methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate (CID 16973462) is methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(C(C)NC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The InChIKey is UAXVONZQZCKTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11(18-17(22)14-8-5-9-24-14)16-19-12-6-3-4-7-13(12)20(16)10-15(21)23-2/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,22).
What are the key properties of methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate has a molecular weight of 331.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16973462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).