4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide

C30H31FN6O3 — CID 135155699

IUPAC4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(F)cc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)CC1
InChIInChI=1S/C30H31FN6O3/c1-34(2)29(40)36-15-13-35(14-16-36)26(38)22-17-21(18-25(31)19-22)20-37-27(39)30(33-28(37)32,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19H,13-16,20H2,1-2H3,(H2,32,33)
InChIKeyKEXXUEQFWAMFME-UHFFFAOYSA-N
MW542.62 g/mol
LogP2.87
Rot. Bonds5

About 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 135155699) has the molecular formula C30H31FN6O3 and a molecular weight of 542.62 g/mol. Its IUPAC name is 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID135155699
Molecular FormulaC30H31FN6O3
Molecular Weight542.62 g/mol
Exact Mass542.24
IUPAC Name4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(F)cc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)CC1
InChIInChI=1S/C30H31FN6O3/c1-34(2)29(40)36-15-13-35(14-16-36)26(38)22-17-21(18-25(31)19-22)20-37-27(39)30(33-28(37)32,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19H,13-16,20H2,1-2H3,(H2,32,33)
InChIKeyKEXXUEQFWAMFME-UHFFFAOYSA-N
XLogP2.87
TPSA102.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.62
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 135155699) is 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cc(F)cc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)CC1.
What is the InChIKey of 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is KEXXUEQFWAMFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O3/c1-34(2)29(40)36-15-13-35(14-16-36)26(38)22-17-21(18-25(31)19-22)20-37-27(39)30(33-28(37)32,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19H,13-16,20H2,1-2H3,(H2,32,33).
What are the key properties of 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 542.62 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 135155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).