1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one

C29H30N4O3 — CID 59292507

IUPAC1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
SMILESCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3C)c2=O)c1
InChIInChI=1S/C29H30N4O3/c1-21-9-6-7-14-25(21)33-26(23-11-4-3-5-12-23)27(28(34)31-17-15-30-16-18-31)32(29(33)35)20-22-10-8-13-24(19-22)36-2/h3-14,19,30H,15-18,20H2,1-2H3
InChIKeyAVZFOZYFPCHXEM-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.72
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one

1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one (PubChem CID 59292507) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
PubChem CID59292507
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
SMILESCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3C)c2=O)c1
InChIInChI=1S/C29H30N4O3/c1-21-9-6-7-14-25(21)33-26(23-11-4-3-5-12-23)27(28(34)31-17-15-30-16-18-31)32(29(33)35)20-22-10-8-13-24(19-22)36-2/h3-14,19,30H,15-18,20H2,1-2H3
InChIKeyAVZFOZYFPCHXEM-UHFFFAOYSA-N
XLogP3.72
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-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

1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292634
1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292750
phenyl N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]carbamate
CID 59292380
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
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
2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide
CID 59292687
1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea
CID 59292591
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-phenoxyethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292573
3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one
CID 143725239
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292773
4-[3-[[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]-3-methylbutanamide
CID 66829551
1-[[3-(methoxymethoxymethyl)phenyl]methyl]-3-(2-methoxyphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[3-[3-(2-methoxyphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]-2-methylpropane-1-sulfonamide;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]imidazol-2-one;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-pyridin-3-yloxyethoxy)phenyl]methyl]imidazol-2-one
CID 160567914

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one (CID 59292507) is 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one is COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3C)c2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The InChIKey is AVZFOZYFPCHXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-21-9-6-7-14-25(21)33-26(23-11-4-3-5-12-23)27(28(34)31-17-15-30-16-18-31)32(29(33)35)20-22-10-8-13-24(19-22)36-2/h3-14,19,30H,15-18,20H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one has a molecular weight of 482.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one is sourced from PubChem (CID 59292507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).