2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide

C28H35N5O3 — CID 59292687

IUPAC2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide
SMILESCc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNC(=O)C(C)C)c1=O
InChIInChI=1S/C28H35N5O3/c1-20(2)26(34)30-14-9-17-32-25(27(35)31-18-15-29-16-19-31)24(22-11-5-4-6-12-22)33(28(32)36)23-13-8-7-10-21(23)3/h4-8,10-13,20,29H,9,14-19H2,1-3H3,(H,30,34)
InChIKeyXGWZFVCYYPVNDO-UHFFFAOYSA-N
MW489.62 g/mol
LogP2.82
Rot. Bonds8

About 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide

2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide (PubChem CID 59292687) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide
PubChem CID59292687
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide
SMILESCc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNC(=O)C(C)C)c1=O
InChIInChI=1S/C28H35N5O3/c1-20(2)26(34)30-14-9-17-32-25(27(35)31-18-15-29-16-19-31)24(22-11-5-4-6-12-22)33(28(32)36)23-13-8-7-10-21(23)3/h4-8,10-13,20,29H,9,14-19H2,1-3H3,(H,30,34)
InChIKeyXGWZFVCYYPVNDO-UHFFFAOYSA-N
XLogP2.82
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]carbamate
CID 59292380
1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea
CID 59292591
tert-butyl 4-[3-(3-aminopropyl)-1-(2-methylphenyl)-2-oxo-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[1-(2-methylphenyl)-2-oxo-3-[3-(phenoxycarbonylamino)propyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylate;methane;phenyl N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]carbamate
CID 161328978
1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292507
1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 161269852
3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one
CID 143725239
2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide
CID 143725310
4-methoxy-N-[3-[3-(3-morpholin-4-ylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 59292715
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one
CID 59292777
N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide
CID 59292614
N-[3-[3-(1-acetylpiperidin-3-yl)-4-cyclohexa-1,5-dien-1-yl-2-oxo-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 70293522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide (CID 59292687) is 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide is Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNC(=O)C(C)C)c1=O.
What is the InChIKey of 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide?
The InChIKey is XGWZFVCYYPVNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-20(2)26(34)30-14-9-17-32-25(27(35)31-18-15-29-16-19-31)24(22-11-5-4-6-12-22)33(28(32)36)23-13-8-7-10-21(23)3/h4-8,10-13,20,29H,9,14-19H2,1-3H3,(H,30,34).
What are the key properties of 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide?
2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide has a molecular weight of 489.62 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide is sourced from PubChem (CID 59292687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).