3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine

C25H21Cl2N5O — CID 59238995

IUPAC3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine
SMILESClc1ccc2[nH]c3c(OCCCNCc4cnc[nH]4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C25H21Cl2N5O/c26-14-2-4-21-17(8-14)19-10-20-18-9-15(27)3-5-22(18)32-24(20)25(23(19)31-21)33-7-1-6-28-11-16-12-29-13-30-16/h2-5,8-10,12-13,28,31-32H,1,6-7,11H2,(H,29,30)
InChIKeyUFFPCAOGIAEQPG-UHFFFAOYSA-N
MW478.38 g/mol
LogP6.54
Rot. Bonds7

About 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine

3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine (PubChem CID 59238995) has the molecular formula C25H21Cl2N5O and a molecular weight of 478.38 g/mol. Its IUPAC name is 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine
PubChem CID59238995
Molecular FormulaC25H21Cl2N5O
Molecular Weight478.38 g/mol
Exact Mass477.11
IUPAC Name3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine
SMILESClc1ccc2[nH]c3c(OCCCNCc4cnc[nH]4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C25H21Cl2N5O/c26-14-2-4-21-17(8-14)19-10-20-18-9-15(27)3-5-22(18)32-24(20)25(23(19)31-21)33-7-1-6-28-11-16-12-29-13-30-16/h2-5,8-10,12-13,28,31-32H,1,6-7,11H2,(H,29,30)
InChIKeyUFFPCAOGIAEQPG-UHFFFAOYSA-N
XLogP6.54
TPSA81.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 56.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine (CID 59238995) is 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine is Clc1ccc2[nH]c3c(OCCCNCc4cnc[nH]4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1.
What is the InChIKey of 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
The InChIKey is UFFPCAOGIAEQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O/c26-14-2-4-21-17(8-14)19-10-20-18-9-15(27)3-5-22(18)32-24(20)25(23(19)31-21)33-7-1-6-28-11-16-12-29-13-30-16/h2-5,8-10,12-13,28,31-32H,1,6-7,11H2,(H,29,30).
What are the key properties of 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine?
3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine has a molecular weight of 478.38 g/mol, XLogP of 6.54, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-(1H-imidazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 59238995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).