N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine

C41H42N4O — CID 71654240

IUPACN-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C41H42N4O/c1-46-33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,2-3,11,13-15,21,23,28-29H2,1H3,(H,42,43)
InChIKeyRDWJEDDPDHYEAR-UHFFFAOYSA-N
MW606.81 g/mol
LogP9.99
Rot. Bonds12

About N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 71654240) has the molecular formula C41H42N4O and a molecular weight of 606.81 g/mol. Its IUPAC name is N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID71654240
Molecular FormulaC41H42N4O
Molecular Weight606.81 g/mol
Exact Mass606.34
IUPAC NameN-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C41H42N4O/c1-46-33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,2-3,11,13-15,21,23,28-29H2,1H3,(H,42,43)
InChIKeyRDWJEDDPDHYEAR-UHFFFAOYSA-N
XLogP9.99
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.81
LogP ≤ 59.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine with MolForge

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Related Compounds

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CID 73292904
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CID 1330474
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CID 24825369
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CID 56972205
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CID 6602960
CID 6602960
CID 11258617
CID 11258617
CID 3234262
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CID 10336265
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CID 76336478
CID 76336478

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 71654240) is N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is RDWJEDDPDHYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N4O/c1-46-33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,2-3,11,13-15,21,23,28-29H2,1H3,(H,42,43).
What are the key properties of N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 606.81 g/mol, XLogP of 9.99, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 71654240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).