N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide

C24H27N5O4 — CID 123149479

IUPACN-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)C(=O)C(C)(CCNC(C)=O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C24H27N5O4/c1-14(30)26-10-9-24(2)21(31)20(23-27-18-7-5-6-8-19(18)28-23)22(25)29(24)15-11-16(32-3)13-17(12-15)33-4/h5-8,11-13,20,25H,9-10H2,1-4H3,(H,26,30)(H,27,28)/b25-22-
InChIKeyQOLURPOMEHDVHO-LVWGJNHUSA-N
MW449.51 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide

N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide (PubChem CID 123149479) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide
PubChem CID123149479
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)C(=O)C(C)(CCNC(C)=O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C24H27N5O4/c1-14(30)26-10-9-24(2)21(31)20(23-27-18-7-5-6-8-19(18)28-23)22(25)29(24)15-11-16(32-3)13-17(12-15)33-4/h5-8,11-13,20,25H,9-10H2,1-4H3,(H,26,30)(H,27,28)/b25-22-
InChIKeyQOLURPOMEHDVHO-LVWGJNHUSA-N
XLogP3.02
TPSA120.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-imino-2-methylpyrrolidin-3-one
CID 123281251
N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide
CID 123485559
3-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-imino-1,9-diazaspiro[4.5]decan-4-one
CID 123903927
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one
CID 123153794
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one
CID 123703047
N-[2-[6-(1H-benzimidazol-2-yl)-4-(3,5-dimethoxyphenyl)-3-methyl-5-methylimino-1,4-oxazepan-3-yl]ethyl]-2-methoxyacetamide
CID 123817253
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(furan-2-yl)-2-methyl-5-methyliminopyrrolidin-3-one
CID 123909622
methyl 1-(3,5-dimethoxyphenyl)-2-hydroxy-5-imino-4-(1-methylbenzimidazol-2-yl)-3-oxopyrrolidine-2-carboxylate
CID 123645556
4-(1H-benzimidazol-2-yl)-1-(3-ethyl-5-methoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol
CID 136608800
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
ethyl 2-(1H-benzimidazol-2-yl)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 141489995

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide (CID 123149479) is N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide is [H]/N=C1/C(c2nc3ccccc3[nH]2)C(=O)C(C)(CCNC(C)=O)N1c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide?
The InChIKey is QOLURPOMEHDVHO-LVWGJNHUSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-14(30)26-10-9-24(2)21(31)20(23-27-18-7-5-6-8-19(18)28-23)22(25)29(24)15-11-16(32-3)13-17(12-15)33-4/h5-8,11-13,20,25H,9-10H2,1-4H3,(H,26,30)(H,27,28)/b25-22-.
What are the key properties of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide?
N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 123149479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).