N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine

C23H27N5O — CID 15023430

IUPACN-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine
SMILESc1cc2c3c(cccc3c1)N(CCN1CCOCC1)/C2=N/CCCn1ccnc1
InChIInChI=1S/C23H27N5O/c1-4-19-5-2-7-21-22(19)20(6-1)23(25-8-3-10-27-11-9-24-18-27)28(21)13-12-26-14-16-29-17-15-26/h1-2,4-7,9,11,18H,3,8,10,12-17H2/b25-23+
InChIKeyUVQTVWOQXCGZNZ-WJTDDFOZSA-N
MW389.50 g/mol
LogP3.03
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine

N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine (PubChem CID 15023430) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine
PubChem CID15023430
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine
SMILESc1cc2c3c(cccc3c1)N(CCN1CCOCC1)/C2=N/CCCn1ccnc1
InChIInChI=1S/C23H27N5O/c1-4-19-5-2-7-21-22(19)20(6-1)23(25-8-3-10-27-11-9-24-18-27)28(21)13-12-26-14-16-29-17-15-26/h1-2,4-7,9,11,18H,3,8,10,12-17H2/b25-23+
InChIKeyUVQTVWOQXCGZNZ-WJTDDFOZSA-N
XLogP3.03
TPSA45.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine (CID 15023430) is N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine is c1cc2c3c(cccc3c1)N(CCN1CCOCC1)/C2=N/CCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine?
The InChIKey is UVQTVWOQXCGZNZ-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H27N5O/c1-4-19-5-2-7-21-22(19)20(6-1)23(25-8-3-10-27-11-9-24-18-27)28(21)13-12-26-14-16-29-17-15-26/h1-2,4-7,9,11,18H,3,8,10,12-17H2/b25-23+.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine?
N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine has a molecular weight of 389.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine is sourced from PubChem (CID 15023430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).