1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C33H36Cl3N5O4 — CID 68857872

IUPAC1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCOc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.Cl.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C24H26N2O4.C9H9Cl2N3.ClH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h2-12,17,25-27H,13-16H2,1H3;1-3H,4-5H2,(H2,12,13,14);1H
InChIKeyYTBZRNHAQNGPFO-UHFFFAOYSA-N
MW673.04 g/mol
LogP6.52
Rot. Bonds11

About 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 68857872) has the molecular formula C33H36Cl3N5O4 and a molecular weight of 673.04 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID68857872
Molecular FormulaC33H36Cl3N5O4
Molecular Weight673.04 g/mol
Exact Mass671.18
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCOc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.Cl.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C24H26N2O4.C9H9Cl2N3.ClH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h2-12,17,25-27H,13-16H2,1H3;1-3H,4-5H2,(H2,12,13,14);1H
InChIKeyYTBZRNHAQNGPFO-UHFFFAOYSA-N
XLogP6.52
TPSA112.16 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.04
LogP ≤ 56.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 68857872) is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.Cl.Clc1cccc(Cl)c1NC1=NCCN1.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is YTBZRNHAQNGPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4.C9H9Cl2N3.ClH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h2-12,17,25-27H,13-16H2,1H3;1-3H,4-5H2,(H2,12,13,14);1H.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 673.04 g/mol, XLogP of 6.52, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 68857872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).