3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

C17H20N4O3 — CID 18120811

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C17H20N4O3/c1-12-19-13-4-2-3-5-14(13)20(12)11-9-18-15(22)8-10-21-16(23)6-7-17(21)24/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyWSVKHEMUTAIYSE-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.00
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (PubChem CID 18120811) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
PubChem CID18120811
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C17H20N4O3/c1-12-19-13-4-2-3-5-14(13)20(12)11-9-18-15(22)8-10-21-16(23)6-7-17(21)24/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyWSVKHEMUTAIYSE-UHFFFAOYSA-N
XLogP1.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.00
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-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 40716730
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 18120796
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716703
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716683

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (CID 18120811) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is Cc1nc2ccccc2n1CCNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is WSVKHEMUTAIYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-19-13-4-2-3-5-14(13)20(12)11-9-18-15(22)8-10-21-16(23)6-7-17(21)24/h2-5H,6-11H2,1H3,(H,18,22).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 18120811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).