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

C28H28N4O3 — CID 59292634

IUPAC1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
SMILESCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C28H28N4O3/c1-35-24-14-8-9-21(19-24)20-31-26(27(33)30-17-15-29-16-18-30)25(22-10-4-2-5-11-22)32(28(31)34)23-12-6-3-7-13-23/h2-14,19,29H,15-18,20H2,1H3
InChIKeyHXXBJLSAUTUVMP-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.41
Rot. Bonds6

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

1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one (PubChem CID 59292634) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
PubChem CID59292634
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
SMILESCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C28H28N4O3/c1-35-24-14-8-9-21(19-24)20-31-26(27(33)30-17-15-29-16-18-30)25(22-10-4-2-5-11-22)32(28(31)34)23-12-6-3-7-13-23/h2-14,19,29H,15-18,20H2,1H3
InChIKeyHXXBJLSAUTUVMP-UHFFFAOYSA-N
XLogP3.41
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-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-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292507
1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292750
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-phenoxyethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292573
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
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
4-methoxy-N-[3-[3-(3-morpholin-4-ylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 59292715
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292726
2-[3-[[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]-N-methylacetamide
CID 59292456
3-[(3-methoxyphenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 53096930
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 4791207
1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292723

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one (CID 59292634) is 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one is COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The InChIKey is HXXBJLSAUTUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-35-24-14-8-9-21(19-24)20-31-26(27(33)30-17-15-29-16-18-30)25(22-10-4-2-5-11-22)32(28(31)34)23-12-6-3-7-13-23/h2-14,19,29H,15-18,20H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one has a molecular weight of 468.56 g/mol, XLogP of 3.41, 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]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one is sourced from PubChem (CID 59292634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).