N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine

C24H21F2N5O — CID 59238879

IUPACN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc2[nH]c3c(OCCCNC4=NCCN4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C24H21F2N5O/c25-13-2-4-19-15(10-13)17-12-18-16-11-14(26)3-5-20(16)31-22(18)23(21(17)30-19)32-9-1-6-27-24-28-7-8-29-24/h2-5,10-12,30-31H,1,6-9H2,(H2,27,28,29)
InChIKeyNSOJOSFRVCWGNF-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.55
Rot. Bonds5

About N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine

N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 59238879) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID59238879
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc2[nH]c3c(OCCCNC4=NCCN4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C24H21F2N5O/c25-13-2-4-19-15(10-13)17-12-18-16-11-14(26)3-5-20(16)31-22(18)23(21(17)30-19)32-9-1-6-27-24-28-7-8-29-24/h2-5,10-12,30-31H,1,6-9H2,(H2,27,28,29)
InChIKeyNSOJOSFRVCWGNF-UHFFFAOYSA-N
XLogP4.55
TPSA77.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine (CID 59238879) is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1ccc2[nH]c3c(OCCCNC4=NCCN4)c4[nH]c5ccc(F)cc5c4cc3c2c1.
What is the InChIKey of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is NSOJOSFRVCWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-13-2-4-19-15(10-13)17-12-18-16-11-14(26)3-5-20(16)31-22(18)23(21(17)30-19)32-9-1-6-27-24-28-7-8-29-24/h2-5,10-12,30-31H,1,6-9H2,(H2,27,28,29).
What are the key properties of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 433.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 59238879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).