N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine

C41H41N5O2 — CID 71654077

IUPACN-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43)
InChIKeySUVANQLPUCYOBU-UHFFFAOYSA-N
MW635.81 g/mol
LogP10.28
Rot. Bonds13

About N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 71654077) has the molecular formula C41H41N5O2 and a molecular weight of 635.81 g/mol. Its IUPAC name is N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID71654077
Molecular FormulaC41H41N5O2
Molecular Weight635.81 g/mol
Exact Mass635.33
IUPAC NameN-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43)
InChIKeySUVANQLPUCYOBU-UHFFFAOYSA-N
XLogP10.28
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 510.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine 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

9-(2-(2-Nitro-1-imidazolyl)ethylamino)acridine
CID 132458
N-benzyl-2-(3-nitrophenyl)quinazolin-4-amine
CID 2927831
N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 2955894
Nla 1
CID 368824
N6-[(4-Nitro)-phenyl]-9-benzyl-2-phenyladenine
CID 25104891
N-(4-nitrophenyl)-N'-[2-(pyrrolidin-1-yl)quinazolin-4-yl]ethane-1,2-diamine
CID 2956962
9-[3-(2-Nitroamidazol-1-yl)propyl]amino-1-nitroacridine.HCl
CID 385364
N-benzyl-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187251
N-(4-(2-Nitro-1H-imidazol-1-yl)butyl)-9-acridinamine monohydrochloride
CID 3026316
2-[3-(4-Amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine
CID 56954508
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)octane-1,8-diamine
CID 56954616
1-[[4-(Aminomethyl)phenyl]methyl]-2-butyl-8-nitroimidazo[4,5-c]quinolin-4-amine
CID 56954731

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 71654077) is N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine is O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is SUVANQLPUCYOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43).
What are the key properties of N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 635.81 g/mol, XLogP of 10.28, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(4-nitrophenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 71654077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).