2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one

C19H19N7O — CID 102532143

IUPAC2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one
SMILESO=c1c2ccc(NC3=NCCN3)cc2[nH]c2ccc(NC3=NCCN3)cc12
InChIInChI=1S/C19H19N7O/c27-17-13-3-1-12(25-19-22-7-8-23-19)10-16(13)26-15-4-2-11(9-14(15)17)24-18-20-5-6-21-18/h1-4,9-10H,5-8H2,(H,26,27)(H2,20,21,24)(H2,22,23,25)
InChIKeyHYPCWYOPAAVKOS-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.42
Rot. Bonds2

About 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one

2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one (PubChem CID 102532143) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one.

Molecular Properties

Compound Name2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one
PubChem CID102532143
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one
SMILESO=c1c2ccc(NC3=NCCN3)cc2[nH]c2ccc(NC3=NCCN3)cc12
InChIInChI=1S/C19H19N7O/c27-17-13-3-1-12(25-19-22-7-8-23-19)10-16(13)26-15-4-2-11(9-14(15)17)24-18-20-5-6-21-18/h1-4,9-10H,5-8H2,(H,26,27)(H2,20,21,24)(H2,22,23,25)
InChIKeyHYPCWYOPAAVKOS-UHFFFAOYSA-N
XLogP1.42
TPSA105.70 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one?
The IUPAC name of 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one (CID 102532143) is 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one.
What is the SMILES notation for 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one?
The canonical SMILES for 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one is O=c1c2ccc(NC3=NCCN3)cc2[nH]c2ccc(NC3=NCCN3)cc12.
What is the InChIKey of 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one?
The InChIKey is HYPCWYOPAAVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c27-17-13-3-1-12(25-19-22-7-8-23-19)10-16(13)26-15-4-2-11(9-14(15)17)24-18-20-5-6-21-18/h1-4,9-10H,5-8H2,(H,26,27)(H2,20,21,24)(H2,22,23,25).
What are the key properties of 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one?
2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one has a molecular weight of 361.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one is sourced from PubChem (CID 102532143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).