N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide

C33H28N4O — CID 58821270

IUPACN-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide
SMILESC=C(c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)N1CCc2[nH]c(C)nc2-c2ccccc21
InChIInChI=1S/C33H28N4O/c1-22(37-21-20-30-32(35-23(2)34-30)29-14-8-9-15-31(29)37)24-16-18-26(19-17-24)36-33(38)28-13-7-6-12-27(28)25-10-4-3-5-11-25/h3-19H,1,20-21H2,2H3,(H,34,35)(H,36,38)
InChIKeyOKMZQQINUUZYJK-UHFFFAOYSA-N
MW496.61 g/mol
LogP7.34
Rot. Bonds5

About N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide

N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide (PubChem CID 58821270) has the molecular formula C33H28N4O and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide
PubChem CID58821270
Molecular FormulaC33H28N4O
Molecular Weight496.61 g/mol
Exact Mass496.23
IUPAC NameN-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide
SMILESC=C(c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)N1CCc2[nH]c(C)nc2-c2ccccc21
InChIInChI=1S/C33H28N4O/c1-22(37-21-20-30-32(35-23(2)34-30)29-14-8-9-15-31(29)37)24-16-18-26(19-17-24)36-33(38)28-13-7-6-12-27(28)25-10-4-3-5-11-25/h3-19H,1,20-21H2,2H3,(H,34,35)(H,36,38)
InChIKeyOKMZQQINUUZYJK-UHFFFAOYSA-N
XLogP7.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 10189136
(Z)-but-2-ene;N-[4-(2-methyl-4,5-dimethylidene-7,8-dihydro-1H-imidazo[4,5-d]azepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 142078630
N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 15838539
4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
CID 22058229
N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 118689039
N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 10483319
2-methoxyimino-3-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]butanamide
CID 74953189
N-[4-[2-(3-aminopropyl)-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 11800957
2-(3-methylphenyl)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 10742640
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
N-[4-[(5Z)-4,4-difluoro-5-[2-(methylamino)-2-oxoethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 10554715
N-[4-(cyclopropylcarbamoyl)phenyl]-2-phenylbenzamide
CID 51299795

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide?
The IUPAC name of N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide (CID 58821270) is N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide.
What is the SMILES notation for N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide?
The canonical SMILES for N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide is C=C(c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)N1CCc2[nH]c(C)nc2-c2ccccc21.
What is the InChIKey of N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide?
The InChIKey is OKMZQQINUUZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O/c1-22(37-21-20-30-32(35-23(2)34-30)29-14-8-9-15-31(29)37)24-16-18-26(19-17-24)36-33(38)28-13-7-6-12-27(28)25-10-4-3-5-11-25/h3-19H,1,20-21H2,2H3,(H,34,35)(H,36,38).
What are the key properties of N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide?
N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide has a molecular weight of 496.61 g/mol, XLogP of 7.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide is sourced from PubChem (CID 58821270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).