4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide

C32H26N4O2 — CID 22058229

IUPAC4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
SMILESCc1nc2c([nH]1)CCN(C(=O)c1ccc(C(=O)Nc3ccccc3-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-6-12-26(29)30(28)34-21)32(38)24-17-15-23(16-18-24)31(37)35-27-13-7-5-11-25(27)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
InChIKeyNWHYANOJWIDURM-UHFFFAOYSA-N
MW498.59 g/mol
LogP6.51
Rot. Bonds4

About 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide

4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide (PubChem CID 22058229) has the molecular formula C32H26N4O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
PubChem CID22058229
Molecular FormulaC32H26N4O2
Molecular Weight498.59 g/mol
Exact Mass498.21
IUPAC Name4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
SMILESCc1nc2c([nH]1)CCN(C(=O)c1ccc(C(=O)Nc3ccccc3-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-6-12-26(29)30(28)34-21)32(38)24-17-15-23(16-18-24)31(37)35-27-13-7-5-11-25(27)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
InChIKeyNWHYANOJWIDURM-UHFFFAOYSA-N
XLogP6.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 118689039
N-[4-[1-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)ethenyl]phenyl]-2-phenylbenzamide
CID 58821270
N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 10189136
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-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 15838539
(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-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
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
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
N-[4-[2-(3-aminopropyl)-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 11800957
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide (CID 22058229) is 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide is Cc1nc2c([nH]1)CCN(C(=O)c1ccc(C(=O)Nc3ccccc3-c3ccccc3)cc1)c1ccccc1-2.
What is the InChIKey of 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide?
The InChIKey is NWHYANOJWIDURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-6-12-26(29)30(28)34-21)32(38)24-17-15-23(16-18-24)31(37)35-27-13-7-5-11-25(27)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37).
What are the key properties of 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide?
4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide has a molecular weight of 498.59 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 22058229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).