N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H24N4O2 — CID 18086788

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-15-7-9-18(10-8-15)26-14-17(13-21(26)27)22(28)23-11-12-25-16(2)24-19-5-3-4-6-20(19)25/h3-10,17H,11-14H2,1-2H3,(H,23,28)
InChIKeyLHYAVINNDAQPGM-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18086788) 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)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18086788
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-15-7-9-18(10-8-15)26-14-17(13-21(26)27)22(28)23-11-12-25-16(2)24-19-5-3-4-6-20(19)25/h3-10,17H,11-14H2,1-2H3,(H,23,28)
InChIKeyLHYAVINNDAQPGM-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

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Related Compounds

(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40796147
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 17392000
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60565736
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 96557141
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
tert-butyl 4-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 40716679
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 18086788) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LHYAVINNDAQPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-9-18(10-8-15)26-14-17(13-21(26)27)22(28)23-11-12-25-16(2)24-19-5-3-4-6-20(19)25/h3-10,17H,11-14H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-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)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18086788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).