N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

C24H18N4O2 — CID 67106521

IUPACN-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCn1cnc2cc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)ccc21
InChIInChI=1S/C24H18N4O2/c1-27-15-25-20-13-17(10-11-21(20)27)26-24(30)23(29)22-19(16-7-3-2-4-8-16)14-18-9-5-6-12-28(18)22/h2-15H,1H3,(H,26,30)
InChIKeyDWTVGGGTVGVQCQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.31
Rot. Bonds4

About N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (PubChem CID 67106521) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
PubChem CID67106521
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCn1cnc2cc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)ccc21
InChIInChI=1S/C24H18N4O2/c1-27-15-25-20-13-17(10-11-21(20)27)26-24(30)23(29)22-19(16-7-3-2-4-8-16)14-18-9-5-6-12-28(18)22/h2-15H,1H3,(H,26,30)
InChIKeyDWTVGGGTVGVQCQ-UHFFFAOYSA-N
XLogP4.31
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]-2-propan-2-ylbenzoic acid
CID 91265983
N-[4-(1-hydroxyethyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106871
3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoic acid
CID 68828260
N-ethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2371420
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24998848
[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite
CID 174605876
2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate
CID 24999782
(1-methylbenzimidazol-5-yl)urea
CID 12521213
2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide
CID 59224742
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (CID 67106521) is N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is Cn1cnc2cc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)ccc21.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The InChIKey is DWTVGGGTVGVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-27-15-25-20-13-17(10-11-21(20)27)26-24(30)23(29)22-19(16-7-3-2-4-8-16)14-18-9-5-6-12-28(18)22/h2-15H,1H3,(H,26,30).
What are the key properties of N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is sourced from PubChem (CID 67106521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).