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

C23H26N4O3 — CID 17029230

IUPACN-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)C3CCCO3)nc3ccccc32)c(C)c1
InChIInChI=1S/C23H26N4O3/c1-15-9-10-17(16(2)12-15)26-22(28)14-27-19-7-4-3-6-18(19)25-21(27)13-24-23(29)20-8-5-11-30-20/h3-4,6-7,9-10,12,20H,5,8,11,13-14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyKKNMTLLYPQRQIL-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.09
Rot. Bonds6

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

N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 17029230) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID17029230
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)C3CCCO3)nc3ccccc32)c(C)c1
InChIInChI=1S/C23H26N4O3/c1-15-9-10-17(16(2)12-15)26-22(28)14-27-19-7-4-3-6-18(19)25-21(27)13-24-23(29)20-8-5-11-30-20/h3-4,6-7,9-10,12,20H,5,8,11,13-14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyKKNMTLLYPQRQIL-UHFFFAOYSA-N
XLogP3.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 17031223
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029228
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-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030588
N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973985
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974115
N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974116
N-[[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974070
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974006

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (CID 17029230) is N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)Cn2c(CNC(=O)C3CCCO3)nc3ccccc32)c(C)c1.
What is the InChIKey of N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is KKNMTLLYPQRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-9-10-17(16(2)12-15)26-22(28)14-27-19-7-4-3-6-18(19)25-21(27)13-24-23(29)20-8-5-11-30-20/h3-4,6-7,9-10,12,20H,5,8,11,13-14H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 17029230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).