methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate

C18H19N3O4 — CID 16982030

IUPACmethyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H19N3O4/c1-24-17(22)12-21-14-7-3-2-6-13(14)20-16(21)9-4-10-19-18(23)15-8-5-11-25-15/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,23)
InChIKeyUWMFGSDIQHVKBU-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.16
Rot. Bonds7

About methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate

methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate (PubChem CID 16982030) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
PubChem CID16982030
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H19N3O4/c1-24-17(22)12-21-14-7-3-2-6-13(14)20-16(21)9-4-10-19-18(23)15-8-5-11-25-15/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,23)
InChIKeyUWMFGSDIQHVKBU-UHFFFAOYSA-N
XLogP2.16
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982012
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994618
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754691
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[3-[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031242
N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754655
N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031245
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate (CID 16982030) is methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate?
The InChIKey is UWMFGSDIQHVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-17(22)12-21-14-7-3-2-6-13(14)20-16(21)9-4-10-19-18(23)15-8-5-11-25-15/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,23).
What are the key properties of methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate has a molecular weight of 341.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16982030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).