N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide

C23H26N4O4 — CID 17029228

IUPACN-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCCOc1ccc(NC(=O)Cn2c(CNC(=O)C3CCCO3)nc3ccccc32)cc1
InChIInChI=1S/C23H26N4O4/c1-2-30-17-11-9-16(10-12-17)25-22(28)15-27-19-7-4-3-6-18(19)26-21(27)14-24-23(29)20-8-5-13-31-20/h3-4,6-7,9-12,20H,2,5,8,13-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyZSFUBYVEONNRQC-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.87
Rot. Bonds8

About N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide

N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 17029228) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID17029228
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCCOc1ccc(NC(=O)Cn2c(CNC(=O)C3CCCO3)nc3ccccc32)cc1
InChIInChI=1S/C23H26N4O4/c1-2-30-17-11-9-16(10-12-17)25-22(28)15-27-19-7-4-3-6-18(19)26-21(27)14-24-23(29)20-8-5-13-31-20/h3-4,6-7,9-12,20H,2,5,8,13-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyZSFUBYVEONNRQC-UHFFFAOYSA-N
XLogP2.87
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974110
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029230
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974115
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16973983
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-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974116

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (CID 17029228) is N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is CCOc1ccc(NC(=O)Cn2c(CNC(=O)C3CCCO3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is ZSFUBYVEONNRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-2-30-17-11-9-16(10-12-17)25-22(28)15-27-19-7-4-3-6-18(19)26-21(27)14-24-23(29)20-8-5-13-31-20/h3-4,6-7,9-12,20H,2,5,8,13-15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 17029228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).