2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide

C15H20N4O2 — CID 116675039

IUPAC2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-8(11-6-16-7-11)14(20)17-9(2)10-3-4-12-13(5-10)19-15(21)18-12/h3-5,8-9,11,16H,6-7H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyBPSURHGMBRZVLP-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.89
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide

2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide (PubChem CID 116675039) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
PubChem CID116675039
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-8(11-6-16-7-11)14(20)17-9(2)10-3-4-12-13(5-10)19-15(21)18-12/h3-5,8-9,11,16H,6-7H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyBPSURHGMBRZVLP-UHFFFAOYSA-N
XLogP0.89
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 116677038
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 116675254
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
tert-butyl N-[(2R)-1-oxo-1-[[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]amino]propan-2-yl]carbamate
CID 94509187
2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 64822344
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
(2Z,4E)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]hexa-2,4-dienamide
CID 94195434
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide (CID 116675039) is 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide is CC(NC(=O)C(C)C1CNC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is BPSURHGMBRZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8(11-6-16-7-11)14(20)17-9(2)10-3-4-12-13(5-10)19-15(21)18-12/h3-5,8-9,11,16H,6-7H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide?
2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 116675039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).