2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide

C18H14N4O3 — CID 110728536

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C18H14N4O3/c1-21-10-19-14-8-11(6-7-15(14)21)20-16(23)9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeyCNKVRMSHWQVTIN-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.81
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide (PubChem CID 110728536) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
PubChem CID110728536
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C18H14N4O3/c1-21-10-19-14-8-11(6-7-15(14)21)20-16(23)9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeyCNKVRMSHWQVTIN-UHFFFAOYSA-N
XLogP1.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.81
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

2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564
(1-methylbenzimidazol-5-yl)urea
CID 12521213
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71754800
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 124860705
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110778994
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide (CID 110728536) is 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide is Cn1cnc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide?
The InChIKey is CNKVRMSHWQVTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-21-10-19-14-8-11(6-7-15(14)21)20-16(23)9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8,10H,9H2,1H3,(H,20,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110728536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).