4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one

C29H35N5O — CID 46338820

IUPAC4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(CCn3c(C)ccc3C)CC2)cc1
InChIInChI=1S/C29H35N5O/c1-22-9-13-26(14-10-22)34-28(35)27(21-25-7-5-4-6-8-25)30-29(34)32-18-15-31(16-19-32)17-20-33-23(2)11-12-24(33)3/h4-14,27H,15-21H2,1-3H3
InChIKeyYNMYGRKBOXOKKO-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.05
Rot. Bonds6

About 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one

4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one (PubChem CID 46338820) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
PubChem CID46338820
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(CCn3c(C)ccc3C)CC2)cc1
InChIInChI=1S/C29H35N5O/c1-22-9-13-26(14-10-22)34-28(35)27(21-25-7-5-4-6-8-25)30-29(34)32-18-15-31(16-19-32)17-20-33-23(2)11-12-24(33)3/h4-14,27H,15-21H2,1-3H3
InChIKeyYNMYGRKBOXOKKO-UHFFFAOYSA-N
XLogP4.05
TPSA44.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-Methyl-6-((2S,3'S)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-pyridin-3-yl]-2-phenyl-acetamide
CID 54597080
N-[4-[1-[2-(diaminomethylideneamino)-2-oxoethyl]-5-phenylpyrrol-2-yl]phenyl]cyclohexanecarboxamide
CID 44447461
3-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 59758173
(2R)-2-[2-(4-acetamidophenyl)ethylamino]-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
CID 148393320
US11390610, Example 36
CID 165414472
(2S)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 11712986
(S)-N-[(S)-1-Cyclohexyl-2-((S)-2-{6-[(2-fluoro-phenyl)-methyl-amino]-pyridin-2-yl}-pyrrolidin-1-yl)-2-oxo-ethyl]-2-methylamino-propionamide
CID 54669995
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(4-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 54670371
(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 58515437
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 59788097
(2S)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 67003280
N-[(1S)-1-cyclohexyl-2-[2-[6-(2-fluoro-N-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 67003282

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one (CID 46338820) is 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one is Cc1ccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(CCn3c(C)ccc3C)CC2)cc1.
What is the InChIKey of 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
The InChIKey is YNMYGRKBOXOKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-22-9-13-26(14-10-22)34-28(35)27(21-25-7-5-4-6-8-25)30-29(34)32-18-15-31(16-19-32)17-20-33-23(2)11-12-24(33)3/h4-14,27H,15-21H2,1-3H3.
What are the key properties of 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one has a molecular weight of 469.63 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).