N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C21H22N4O2 — CID 60566031

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCc3nc4ccccc4[nH]3)C2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-8-15(9-7-14)25-13-11-16(21(25)27)20(26)22-12-10-19-23-17-4-2-3-5-18(17)24-19/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyVDKWUXWNBPQFLN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 60566031) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID60566031
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCc3nc4ccccc4[nH]3)C2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-8-15(9-7-14)25-13-11-16(21(25)27)20(26)22-12-10-19-23-17-4-2-3-5-18(17)24-19/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyVDKWUXWNBPQFLN-UHFFFAOYSA-N
XLogP2.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60565736
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
1-(4-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797771
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86829175
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 66831856
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55461112
(1S,2R,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98680037
(3R)-1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 92986922
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111033735
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 60566031) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)NCCc3nc4ccccc4[nH]3)C2=O)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is VDKWUXWNBPQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-6-8-15(9-7-14)25-13-11-16(21(25)27)20(26)22-12-10-19-23-17-4-2-3-5-18(17)24-19/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60566031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).