N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide

C23H19BrN4O2 — CID 59585448

IUPACN-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESO=C(Cc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H19BrN4O2/c24-18-9-10-21(27-14-18)28-23(30)19-4-2-1-3-17(19)13-20(29)15-5-7-16(8-6-15)22-25-11-12-26-22/h1-10,14H,11-13H2,(H,25,26)(H,27,28,30)
InChIKeyOKGZTLOLJYRMAK-UHFFFAOYSA-N
MW463.34 g/mol
LogP3.87
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide

N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 59585448) has the molecular formula C23H19BrN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID59585448
Molecular FormulaC23H19BrN4O2
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESO=C(Cc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H19BrN4O2/c24-18-9-10-21(27-14-18)28-23(30)19-4-2-1-3-17(19)13-20(29)15-5-7-16(8-6-15)22-25-11-12-26-22/h1-10,14H,11-13H2,(H,25,26)(H,27,28,30)
InChIKeyOKGZTLOLJYRMAK-UHFFFAOYSA-N
XLogP3.87
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 59585448) is N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide is O=C(Cc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCN2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is OKGZTLOLJYRMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O2/c24-18-9-10-21(27-14-18)28-23(30)19-4-2-1-3-17(19)13-20(29)15-5-7-16(8-6-15)22-25-11-12-26-22/h1-10,14H,11-13H2,(H,25,26)(H,27,28,30).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 463.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59585448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).