N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine

C43H46N4O — CID 71653620

IUPACN-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C43H46N4O/c1-48-35-28-26-34(27-29-35)43-46-40(32-18-8-6-9-19-32)42(33-20-10-7-11-21-33)47(43)31-17-5-3-2-4-16-30-44-41-36-22-12-14-24-38(36)45-39-25-15-13-23-37(39)41/h6-12,14,18-22,24,26-29H,2-5,13,15-17,23,25,30-31H2,1H3,(H,44,45)
InChIKeySNSRJILUVKITFA-UHFFFAOYSA-N
MW634.87 g/mol
LogP10.77
Rot. Bonds14

About N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 71653620) has the molecular formula C43H46N4O and a molecular weight of 634.87 g/mol. Its IUPAC name is N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID71653620
Molecular FormulaC43H46N4O
Molecular Weight634.87 g/mol
Exact Mass634.37
IUPAC NameN-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C43H46N4O/c1-48-35-28-26-34(27-29-35)43-46-40(32-18-8-6-9-19-32)42(33-20-10-7-11-21-33)47(43)31-17-5-3-2-4-16-30-44-41-36-22-12-14-24-38(36)45-39-25-15-13-23-37(39)41/h6-12,14,18-22,24,26-29H,2-5,13,15-17,23,25,30-31H2,1H3,(H,44,45)
InChIKeySNSRJILUVKITFA-UHFFFAOYSA-N
XLogP10.77
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.87
LogP ≤ 510.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 71653620) is N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is SNSRJILUVKITFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N4O/c1-48-35-28-26-34(27-29-35)43-46-40(32-18-8-6-9-19-32)42(33-20-10-7-11-21-33)47(43)31-17-5-3-2-4-16-30-44-41-36-22-12-14-24-38(36)45-39-25-15-13-23-37(39)41/h6-12,14,18-22,24,26-29H,2-5,13,15-17,23,25,30-31H2,1H3,(H,44,45).
What are the key properties of N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 634.87 g/mol, XLogP of 10.77, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 71653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).