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

C23H26N4O3 — CID 16974115

IUPACN-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCCN(C(=O)Cn1c(CNC(=O)C2CCCO2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-2-26(17-9-4-3-5-10-17)22(28)16-27-19-12-7-6-11-18(19)25-21(27)15-24-23(29)20-13-8-14-30-20/h3-7,9-12,20H,2,8,13-16H2,1H3,(H,24,29)
InChIKeyPVSMADCYRBRYHC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.88
Rot. Bonds7

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

N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 16974115) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID16974115
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCCN(C(=O)Cn1c(CNC(=O)C2CCCO2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-2-26(17-9-4-3-5-10-17)22(28)16-27-19-12-7-6-11-18(19)25-21(27)15-24-23(29)20-13-8-14-30-20/h3-7,9-12,20H,2,8,13-16H2,1H3,(H,24,29)
InChIKeyPVSMADCYRBRYHC-UHFFFAOYSA-N
XLogP2.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974116
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974110
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16973983
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973985
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029228
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974006
4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009275
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974027
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (CID 16974115) is N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is CCN(C(=O)Cn1c(CNC(=O)C2CCCO2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is PVSMADCYRBRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-26(17-9-4-3-5-10-17)22(28)16-27-19-12-7-6-11-18(19)25-21(27)15-24-23(29)20-13-8-14-30-20/h3-7,9-12,20H,2,8,13-16H2,1H3,(H,24,29).
What are the key properties of N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 16974115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).