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

C22H24N4O2 — CID 60565736

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCn3c(C)nc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-15-7-9-17(10-8-15)26-13-11-18(22(26)28)21(27)23-12-14-25-16(2)24-19-5-3-4-6-20(19)25/h3-10,18H,11-14H2,1-2H3,(H,23,27)
InChIKeyFRRVHQLYXSBWRH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.82
Rot. Bonds5

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

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 60565736) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID60565736
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCn3c(C)nc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-15-7-9-17(10-8-15)26-13-11-18(22(26)28)21(27)23-12-14-25-16(2)24-19-5-3-4-6-20(19)25/h3-10,18H,11-14H2,1-2H3,(H,23,27)
InChIKeyFRRVHQLYXSBWRH-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-5-oxopyrrolidine-3-carboxamide
CID 18086788
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60566031
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
(3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25276752
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18120735
tert-butyl 4-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 40716679
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 94516578
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 66235655

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 60565736) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)NCCn3c(C)nc4ccccc43)C2=O)cc1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is FRRVHQLYXSBWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-9-17(10-8-15)26-13-11-18(22(26)28)21(27)23-12-14-25-16(2)24-19-5-3-4-6-20(19)25/h3-10,18H,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60565736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).