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

C33H28N4O2 — CID 118689039

IUPACN-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
SMILESCc1nc2c([nH]1)CCN(C(=O)c1ccc(N(C)C(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C33H28N4O2/c1-22-34-29-20-21-37(30-15-9-8-14-28(30)31(29)35-22)32(38)24-16-18-25(19-17-24)36(2)33(39)27-13-7-6-12-26(27)23-10-4-3-5-11-23/h3-19H,20-21H2,1-2H3,(H,34,35)
InChIKeyLXZVEGZQORXAPM-UHFFFAOYSA-N
MW512.61 g/mol
LogP6.53
Rot. Bonds4

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

N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide (PubChem CID 118689039) has the molecular formula C33H28N4O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
PubChem CID118689039
Molecular FormulaC33H28N4O2
Molecular Weight512.61 g/mol
Exact Mass512.22
IUPAC NameN-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
SMILESCc1nc2c([nH]1)CCN(C(=O)c1ccc(N(C)C(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C33H28N4O2/c1-22-34-29-20-21-37(30-15-9-8-14-28(30)31(29)35-22)32(38)24-16-18-25(19-17-24)36(2)33(39)27-13-7-6-12-26(27)23-10-4-3-5-11-23/h3-19H,20-21H2,1-2H3,(H,34,35)
InChIKeyLXZVEGZQORXAPM-UHFFFAOYSA-N
XLogP6.53
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
CID 22058229
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
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-methyl-2-(4-methylphenyl)-N-[4-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]phenyl]benzamide
CID 22405154
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-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 10483319
N-[4-[2-(3-aminopropyl)-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 11800957
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide
CID 139690669
(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-(4-nitrophenyl)methanone
CID 130187500
3-fluoro-6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid
CID 137389041

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The IUPAC name of N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide (CID 118689039) is N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide.
What is the SMILES notation for N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The canonical SMILES for N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide is Cc1nc2c([nH]1)CCN(C(=O)c1ccc(N(C)C(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.
What is the InChIKey of N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The InChIKey is LXZVEGZQORXAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O2/c1-22-34-29-20-21-37(30-15-9-8-14-28(30)31(29)35-22)32(38)24-16-18-25(19-17-24)36(2)33(39)27-13-7-6-12-26(27)23-10-4-3-5-11-23/h3-19H,20-21H2,1-2H3,(H,34,35).
What are the key properties of N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide has a molecular weight of 512.61 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide is sourced from PubChem (CID 118689039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).