N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide

C27H35BrN4O2 — CID 58425038

IUPACN-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(CN2C(=O)C(CCCC)(c3cccc(Br)c3)N=C2N)cc1
InChIInChI=1S/C27H35BrN4O2/c1-3-5-7-11-24(33)30-18-20-12-14-21(15-13-20)19-32-25(34)27(16-6-4-2,31-26(32)29)22-9-8-10-23(28)17-22/h8-10,12-15,17H,3-7,11,16,18-19H2,1-2H3,(H2,29,31)(H,30,33)
InChIKeyOCDKLDMJHBVNIN-UHFFFAOYSA-N
MW527.51 g/mol
LogP5.39
Rot. Bonds12

About N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide

N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide (PubChem CID 58425038) has the molecular formula C27H35BrN4O2 and a molecular weight of 527.51 g/mol. Its IUPAC name is N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide
PubChem CID58425038
Molecular FormulaC27H35BrN4O2
Molecular Weight527.51 g/mol
Exact Mass526.19
IUPAC NameN-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(CN2C(=O)C(CCCC)(c3cccc(Br)c3)N=C2N)cc1
InChIInChI=1S/C27H35BrN4O2/c1-3-5-7-11-24(33)30-18-20-12-14-21(15-13-20)19-32-25(34)27(16-6-4-2,31-26(32)29)22-9-8-10-23(28)17-22/h8-10,12-15,17H,3-7,11,16,18-19H2,1-2H3,(H2,29,31)(H,30,33)
InChIKeyOCDKLDMJHBVNIN-UHFFFAOYSA-N
XLogP5.39
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.51
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide 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-[[4-[[2-amino-4-(5-bromo-3-pyridinyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide
CID 58425206
1-[[4-[[2-amino-4-(5-bromo-3-pyridinyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-propylurea
CID 89391723
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
2-amino-5-butyl-3-[[4-(3-oxooctyl)phenyl]methyl]-5-propan-2-ylimidazol-4-one
CID 58425116
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-benzylundecanamide
CID 5078198
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide?
The IUPAC name of N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide (CID 58425038) is N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide.
What is the SMILES notation for N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide?
The canonical SMILES for N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide is CCCCCC(=O)NCc1ccc(CN2C(=O)C(CCCC)(c3cccc(Br)c3)N=C2N)cc1.
What is the InChIKey of N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide?
The InChIKey is OCDKLDMJHBVNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35BrN4O2/c1-3-5-7-11-24(33)30-18-20-12-14-21(15-13-20)19-32-25(34)27(16-6-4-2,31-26(32)29)22-9-8-10-23(28)17-22/h8-10,12-15,17H,3-7,11,16,18-19H2,1-2H3,(H2,29,31)(H,30,33).
What are the key properties of N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide?
N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide has a molecular weight of 527.51 g/mol, XLogP of 5.39, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-amino-4-(3-bromophenyl)-4-butyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]hexanamide is sourced from PubChem (CID 58425038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).