N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide

C22H19FN6O — CID 162696718

IUPACN-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCc2ccccc2-n2ccnc21)c1ncn(Cc2ccccc2F)n1
InChIInChI=1S/C22H19FN6O/c23-17-7-3-1-6-16(17)13-28-14-25-20(27-28)22(30)26-18-10-9-15-5-2-4-8-19(15)29-12-11-24-21(18)29/h1-8,11-12,14,18H,9-10,13H2,(H,26,30)
InChIKeyQLNVOZHTRCGCGE-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.07
Rot. Bonds4

About N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide

N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 162696718) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID162696718
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC NameN-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCc2ccccc2-n2ccnc21)c1ncn(Cc2ccccc2F)n1
InChIInChI=1S/C22H19FN6O/c23-17-7-3-1-6-16(17)13-28-14-25-20(27-28)22(30)26-18-10-9-15-5-2-4-8-19(15)29-12-11-24-21(18)29/h1-8,11-12,14,18H,9-10,13H2,(H,26,30)
InChIKeyQLNVOZHTRCGCGE-UHFFFAOYSA-N
XLogP3.07
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide (CID 162696718) is N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide is O=C(NC1CCc2ccccc2-n2ccnc21)c1ncn(Cc2ccccc2F)n1.
What is the InChIKey of N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is QLNVOZHTRCGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-17-7-3-1-6-16(17)13-28-14-25-20(27-28)22(30)26-18-10-9-15-5-2-4-8-19(15)29-12-11-24-21(18)29/h1-8,11-12,14,18H,9-10,13H2,(H,26,30).
What are the key properties of N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide?
N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 162696718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).