N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide

C33H28N4O2 — CID 15838539

IUPACN-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
SMILESCc1nc2c(n1C)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C33H28N4O2/c1-22-34-31-28-14-8-9-15-29(28)37(21-20-30(31)36(22)2)33(39)24-16-18-25(19-17-24)35-32(38)27-13-7-6-12-26(27)23-10-4-3-5-11-23/h3-19H,20-21H2,1-2H3,(H,35,38)
InChIKeyPPQVWKYZVSHSLN-UHFFFAOYSA-N
MW512.61 g/mol
LogP6.52
Rot. Bonds4

About N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide

N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide (PubChem CID 15838539) has the molecular formula C33H28N4O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
PubChem CID15838539
Molecular FormulaC33H28N4O2
Molecular Weight512.61 g/mol
Exact Mass512.22
IUPAC NameN-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
SMILESCc1nc2c(n1C)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C33H28N4O2/c1-22-34-31-28-14-8-9-15-29(28)37(21-20-30(31)36(22)2)33(39)24-16-18-25(19-17-24)35-32(38)27-13-7-6-12-26(27)23-10-4-3-5-11-23/h3-19H,20-21H2,1-2H3,(H,35,38)
InChIKeyPPQVWKYZVSHSLN-UHFFFAOYSA-N
XLogP6.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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-(3-aminopropyl)-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 11800957
(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
2-(3-methylphenyl)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 10742640
N-[4-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
CID 10698351
4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
CID 22058229
N-[4-[(5Z)-4,4-difluoro-5-[2-(methylamino)-2-oxoethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 10554715
2-(4-methylphenyl)-N-[4-[5-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]phenyl]benzamide
CID 22405091
2-[2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 22405102
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-[4,4-difluoro-5-(2-pyrrolidin-1-ylethylidene)-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 67752566

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The IUPAC name of N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide (CID 15838539) is N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide.
What is the SMILES notation for N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The canonical SMILES for N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide is Cc1nc2c(n1C)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.
What is the InChIKey of N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The InChIKey is PPQVWKYZVSHSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O2/c1-22-34-31-28-14-8-9-15-29(28)37(21-20-30(31)36(22)2)33(39)24-16-18-25(19-17-24)35-32(38)27-13-7-6-12-26(27)23-10-4-3-5-11-23/h3-19H,20-21H2,1-2H3,(H,35,38).
What are the key properties of N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide has a molecular weight of 512.61 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide is sourced from PubChem (CID 15838539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).