N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide

C18H22N4O2 — CID 16980343

IUPACN-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C18H22N4O2/c1-2-17(23)19-10-9-16-20-14-7-3-4-8-15(14)22(16)13-18(24)21-11-5-6-12-21/h2-4,7-8H,1,5-6,9-13H2,(H,19,23)
InChIKeyAFZMZMULQLDXKB-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide

N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16980343) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16980343
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C18H22N4O2/c1-2-17(23)19-10-9-16-20-14-7-3-4-8-15(14)22(16)13-18(24)21-11-5-6-12-21/h2-4,7-8H,1,5-6,9-13H2,(H,19,23)
InChIKeyAFZMZMULQLDXKB-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980349
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371
N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972336
(E)-N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992812
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
(E)-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980185
3-bromo-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977875
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980217
3-bromo-N-[2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977876
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16980343) is N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide is C=CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCC1.
What is the InChIKey of N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is AFZMZMULQLDXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-17(23)19-10-9-16-20-14-7-3-4-8-15(14)22(16)13-18(24)21-11-5-6-12-21/h2-4,7-8H,1,5-6,9-13H2,(H,19,23).
What are the key properties of N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 326.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16980343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).