N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine

C23H20N4 — CID 15035101

IUPACN-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine
SMILESc1ccc(N(CCCn2ccnc2)C2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C23H20N4/c1-2-9-19(10-3-1)27(15-6-14-26-16-13-24-17-26)23-20-11-4-7-18-8-5-12-21(25-23)22(18)20/h1-5,7-13,16-17H,6,14-15H2
InChIKeyPDEDYWWLCPXOKG-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.02
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine

N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine (PubChem CID 15035101) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine
PubChem CID15035101
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine
SMILESc1ccc(N(CCCn2ccnc2)C2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C23H20N4/c1-2-9-19(10-3-1)27(15-6-14-26-16-13-24-17-26)23-20-11-4-7-18-8-5-12-21(25-23)22(18)20/h1-5,7-13,16-17H,6,14-15H2
InChIKeyPDEDYWWLCPXOKG-UHFFFAOYSA-N
XLogP5.02
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine (CID 15035101) is N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine is c1ccc(N(CCCn2ccnc2)C2=Nc3cccc4cccc2c34)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine?
The InChIKey is PDEDYWWLCPXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-2-9-19(10-3-1)27(15-6-14-26-16-13-24-17-26)23-20-11-4-7-18-8-5-12-21(25-23)22(18)20/h1-5,7-13,16-17H,6,14-15H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine?
N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine has a molecular weight of 352.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine is sourced from PubChem (CID 15035101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).