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

C37H29N5O2 — CID 10189136

IUPACN-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
SMILESCc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2)c2ccccc2-3)n1
InChIInChI=1S/C37H29N5O2/c1-24-10-9-16-32(38-24)35-40-31-22-23-42(33-17-8-7-15-30(33)34(31)41-35)37(44)26-18-20-27(21-19-26)39-36(43)29-14-6-5-13-28(29)25-11-3-2-4-12-25/h2-21H,22-23H2,1H3,(H,39,43)(H,40,41)
InChIKeyDFWTZVKNYHKYMK-UHFFFAOYSA-N
MW575.67 g/mol
LogP7.57
Rot. Bonds5

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

N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide (PubChem CID 10189136) has the molecular formula C37H29N5O2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
PubChem CID10189136
Molecular FormulaC37H29N5O2
Molecular Weight575.67 g/mol
Exact Mass575.23
IUPAC NameN-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
SMILESCc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2)c2ccccc2-3)n1
InChIInChI=1S/C37H29N5O2/c1-24-10-9-16-32(38-24)35-40-31-22-23-42(33-17-8-7-15-30(33)34(31)41-35)37(44)26-18-20-27(21-19-26)39-36(43)29-14-6-5-13-28(29)25-11-3-2-4-12-25/h2-21H,22-23H2,1H3,(H,39,43)(H,40,41)
InChIKeyDFWTZVKNYHKYMK-UHFFFAOYSA-N
XLogP7.57
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 15838539
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-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)-N-(2-phenylphenyl)benzamide
CID 22058229
(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-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 118689039
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
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-[(5Z)-4,4-difluoro-5-[2-(methylamino)-2-oxoethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 10554715
2-[2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 22405102
N-[4-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
CID 10698351

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide?
The IUPAC name of N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide (CID 10189136) is N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide.
What is the SMILES notation for N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide?
The canonical SMILES for N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide is Cc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2)c2ccccc2-3)n1.
What is the InChIKey of N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide?
The InChIKey is DFWTZVKNYHKYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N5O2/c1-24-10-9-16-32(38-24)35-40-31-22-23-42(33-17-8-7-15-30(33)34(31)41-35)37(44)26-18-20-27(21-19-26)39-36(43)29-14-6-5-13-28(29)25-11-3-2-4-12-25/h2-21H,22-23H2,1H3,(H,39,43)(H,40,41).
What are the key properties of N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide?
N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide has a molecular weight of 575.67 g/mol, XLogP of 7.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-methyl-2-pyridinyl)-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide is sourced from PubChem (CID 10189136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).