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

C26H31N5O4 — CID 123485559

IUPACN-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCC1(C)C(=O)C(c2nc3ccccc3[nH]2)/C(=N/C)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C26H31N5O4/c1-6-21(32)28-12-11-26(2)23(33)22(24-29-19-9-7-8-10-20(19)30-24)25(27-3)31(26)16-13-17(34-4)15-18(14-16)35-5/h7-10,13-15,22H,6,11-12H2,1-5H3,(H,28,32)(H,29,30)/b27-25-
InChIKeySPOBQRDTSIGXOP-RFBIWTDZSA-N
MW477.57 g/mol
LogP3.46
Rot. Bonds8

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

N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide (PubChem CID 123485559) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide
PubChem CID123485559
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCC1(C)C(=O)C(c2nc3ccccc3[nH]2)/C(=N/C)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C26H31N5O4/c1-6-21(32)28-12-11-26(2)23(33)22(24-29-19-9-7-8-10-20(19)30-24)25(27-3)31(26)16-13-17(34-4)15-18(14-16)35-5/h7-10,13-15,22H,6,11-12H2,1-5H3,(H,28,32)(H,29,30)/b27-25-
InChIKeySPOBQRDTSIGXOP-RFBIWTDZSA-N
XLogP3.46
TPSA108.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
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-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one
CID 123153794
N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide
CID 123149479
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one
CID 123703047
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-imino-2-methylpyrrolidin-3-one
CID 123281251
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(furan-2-yl)-2-methyl-5-methyliminopyrrolidin-3-one
CID 123909622
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
3-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-imino-1,9-diazaspiro[4.5]decan-4-one
CID 123903927
ethyl 2-(1H-benzimidazol-2-yl)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 141489995
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 685415
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444
1-[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
CID 3098561

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide (CID 123485559) is N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide is CCC(=O)NCCC1(C)C(=O)C(c2nc3ccccc3[nH]2)/C(=N/C)N1c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide?
The InChIKey is SPOBQRDTSIGXOP-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-6-21(32)28-12-11-26(2)23(33)22(24-29-19-9-7-8-10-20(19)30-24)25(27-3)31(26)16-13-17(34-4)15-18(14-16)35-5/h7-10,13-15,22H,6,11-12H2,1-5H3,(H,28,32)(H,29,30)/b27-25-.
What are the key properties of N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide?
N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide has a molecular weight of 477.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 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)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 123485559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).