[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol

C19H14ClFN2O — CID 171148537

IUPAC[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol
SMILESOCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=CC2
InChIInChI=1S/C19H14ClFN2O/c20-12-5-8-18-16(9-12)14(15-3-1-2-4-17(15)21)7-6-13-10-22-19(11-24)23(13)18/h1-5,7-10,24H,6,11H2
InChIKeySFOCTLWHTISTTE-UHFFFAOYSA-N
MW340.79 g/mol
LogP4.14
Rot. Bonds2

About [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol

[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol (PubChem CID 171148537) has the molecular formula C19H14ClFN2O and a molecular weight of 340.79 g/mol. Its IUPAC name is [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol.

Molecular Properties

Compound Name[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol
PubChem CID171148537
Molecular FormulaC19H14ClFN2O
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC Name[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol
SMILESOCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=CC2
InChIInChI=1S/C19H14ClFN2O/c20-12-5-8-18-16(9-12)14(15-3-1-2-4-17(15)21)7-6-13-10-22-19(11-24)23(13)18/h1-5,7-10,24H,6,11H2
InChIKeySFOCTLWHTISTTE-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid
CID 176552138
benzyl N-[[8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-yl]methyl]carbamate
CID 56626850
[2-chloro-5-(2-fluorophenyl)-3-pyridinyl]methanol
CID 119021722
2-[7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetamide
CID 3086937
8-chloro-6-(2-fluorophenyl)-1-(methoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 19865812
7-chloro-5-(2-fluorophenyl)-2-oxido-2,3-dihydro-1H-2-benzazepin-2-ium
CID 88740065
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 10359044
acetic acid;[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
CID 70359440
[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]methanol
CID 116878314
(7-chloroimidazo[1,5-a]pyridin-3-yl)methanol
CID 105440332
(8-fluoroimidazo[1,5-a]pyridin-3-yl)methanol
CID 105432910
[5-chloro-2-[3-[2-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2,4-triazol-4-yl]phenyl]-(2-fluorophenyl)methanone
CID 21494762

Frequently Asked Questions

What is the IUPAC name of [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol?
The IUPAC name of [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol (CID 171148537) is [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol.
What is the SMILES notation for [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol?
The canonical SMILES for [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol is OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=CC2.
What is the InChIKey of [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol?
The InChIKey is SFOCTLWHTISTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O/c20-12-5-8-18-16(9-12)14(15-3-1-2-4-17(15)21)7-6-13-10-22-19(11-24)23(13)18/h1-5,7-10,24H,6,11H2.
What are the key properties of [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol?
[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol has a molecular weight of 340.79 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol is sourced from PubChem (CID 171148537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).