N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide

C24H19N3O2 — CID 53348136

IUPACN-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C24H19N3O2/c28-24(20-11-6-10-19-18-9-4-5-12-22(18)29-23(19)20)26-15-21(27-14-13-25-16-27)17-7-2-1-3-8-17/h1-14,16,21H,15H2,(H,26,28)
InChIKeyBZKRWSFLZVRYME-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.80
Rot. Bonds5

About N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide

N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide (PubChem CID 53348136) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide
PubChem CID53348136
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C24H19N3O2/c28-24(20-11-6-10-19-18-9-4-5-12-22(18)29-23(19)20)26-15-21(27-14-13-25-16-27)17-7-2-1-3-8-17/h1-14,16,21H,15H2,(H,26,28)
InChIKeyBZKRWSFLZVRYME-UHFFFAOYSA-N
XLogP4.80
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide (CID 53348136) is N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide is O=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide?
The InChIKey is BZKRWSFLZVRYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-24(20-11-6-10-19-18-9-4-5-12-22(18)29-23(19)20)26-15-21(27-14-13-25-16-27)17-7-2-1-3-8-17/h1-14,16,21H,15H2,(H,26,28).
What are the key properties of N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide?
N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-2-phenylethyl)dibenzofuran-4-carboxamide is sourced from PubChem (CID 53348136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).