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

C42H44N4O — CID 71653919

IUPACN-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44)
InChIKeyPEMQHAPIVQKWHA-UHFFFAOYSA-N
MW620.84 g/mol
LogP10.38
Rot. Bonds13

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

N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 71653919) has the molecular formula C42H44N4O and a molecular weight of 620.84 g/mol. Its IUPAC name is N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID71653919
Molecular FormulaC42H44N4O
Molecular Weight620.84 g/mol
Exact Mass620.35
IUPAC NameN-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44)
InChIKeyPEMQHAPIVQKWHA-UHFFFAOYSA-N
XLogP10.38
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 510.38
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-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 71653919) is N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is PEMQHAPIVQKWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44).
What are the key properties of N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 620.84 g/mol, XLogP of 10.38, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 71653919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).