N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C20H28N4O3 — CID 17030558

IUPACN-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)Cn1c(CCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C20H28N4O3/c1-20(2,3)23-18(25)13-24-15-8-5-4-7-14(15)22-17(24)10-11-21-19(26)16-9-6-12-27-16/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyUVJAPXMDLINYHF-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 17030558) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID17030558
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)Cn1c(CCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C20H28N4O3/c1-20(2,3)23-18(25)13-24-15-8-5-4-7-14(15)22-17(24)10-11-21-19(26)16-9-6-12-27-16/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyUVJAPXMDLINYHF-UHFFFAOYSA-N
XLogP1.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030599
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030588
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
N-[2-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030577
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 17031223
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16973983

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 17030558) is N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is CC(C)(C)NC(=O)Cn1c(CCNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is UVJAPXMDLINYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)23-18(25)13-24-15-8-5-4-7-14(15)22-17(24)10-11-21-19(26)16-9-6-12-27-16/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,21,26)(H,23,25).
What are the key properties of N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 17030558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).