3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide

C21H20N4O3 — CID 60553645

IUPAC3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C21H20N4O3/c26-19(12-13-24-14-22-17-4-1-2-5-18(17)24)23-15-8-10-16(11-9-15)25-20(27)6-3-7-21(25)28/h1-2,4-5,8-11,14H,3,6-7,12-13H2,(H,23,26)
InChIKeyUCXZTKKRAQDMNX-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.11
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide

3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide (PubChem CID 60553645) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide
PubChem CID60553645
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C21H20N4O3/c26-19(12-13-24-14-22-17-4-1-2-5-18(17)24)23-15-8-10-16(11-9-15)25-20(27)6-3-7-21(25)28/h1-2,4-5,8-11,14H,3,6-7,12-13H2,(H,23,26)
InChIKeyUCXZTKKRAQDMNX-UHFFFAOYSA-N
XLogP3.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
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CID 60553812
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 25390413
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819900
3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17480456
(E)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-5-phenylpent-4-enamide
CID 75421720
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide (CID 60553645) is 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide is O=C(CCn1cnc2ccccc21)Nc1ccc(N2C(=O)CCCC2=O)cc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide?
The InChIKey is UCXZTKKRAQDMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19(12-13-24-14-22-17-4-1-2-5-18(17)24)23-15-8-10-16(11-9-15)25-20(27)6-3-7-21(25)28/h1-2,4-5,8-11,14H,3,6-7,12-13H2,(H,23,26).
What are the key properties of 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide?
3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide has a molecular weight of 376.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 60553645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).