N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine

C33H36N8O — CID 158717809

IUPACN-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine
SMILESCN(C)CCCOc1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(NC5=NCCN5C5=NCCN5)cc4C3)cc1)=N2
InChIInChI=1S/C33H36N8O/c1-40(2)15-3-17-42-27-9-11-29-25(19-27)21-31(39-29)23-6-4-22(5-7-23)30-20-24-18-26(8-10-28(24)38-30)37-33-36-14-16-41(33)32-34-12-13-35-32/h4-11,18-19H,3,12-17,20-21H2,1-2H3,(H,34,35)(H,36,37)
InChIKeyIJNQHCYPSOZYEF-UHFFFAOYSA-N
MW560.71 g/mol
LogP4.41
Rot. Bonds8

About N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine

N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine (PubChem CID 158717809) has the molecular formula C33H36N8O and a molecular weight of 560.71 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine
PubChem CID158717809
Molecular FormulaC33H36N8O
Molecular Weight560.71 g/mol
Exact Mass560.30
IUPAC NameN-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine
SMILESCN(C)CCCOc1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(NC5=NCCN5C5=NCCN5)cc4C3)cc1)=N2
InChIInChI=1S/C33H36N8O/c1-40(2)15-3-17-42-27-9-11-29-25(19-27)21-31(39-29)23-6-4-22(5-7-23)30-20-24-18-26(8-10-28(24)38-30)37-33-36-14-16-41(33)32-34-12-13-35-32/h4-11,18-19H,3,12-17,20-21H2,1-2H3,(H,34,35)(H,36,37)
InChIKeyIJNQHCYPSOZYEF-UHFFFAOYSA-N
XLogP4.41
TPSA89.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.71
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine?
The IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine (CID 158717809) is N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine.
What is the SMILES notation for N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine?
The canonical SMILES for N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine is CN(C)CCCOc1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(NC5=NCCN5C5=NCCN5)cc4C3)cc1)=N2.
What is the InChIKey of N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine?
The InChIKey is IJNQHCYPSOZYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N8O/c1-40(2)15-3-17-42-27-9-11-29-25(19-27)21-31(39-29)23-6-4-22(5-7-23)30-20-24-18-26(8-10-28(24)38-30)37-33-36-14-16-41(33)32-34-12-13-35-32/h4-11,18-19H,3,12-17,20-21H2,1-2H3,(H,34,35)(H,36,37).
What are the key properties of N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine?
N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine has a molecular weight of 560.71 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydroimidazol-2-yl]-2-[4-[5-[3-(dimethylamino)propoxy]-3H-indol-2-yl]phenyl]-3H-indol-5-amine is sourced from PubChem (CID 158717809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).