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

C36H26FN5O2 — CID 10483319

IUPACN-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3[nH]c(-c4ccccn4)nc3-c3ccccc32)c(F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C36H26FN5O2/c37-29-22-24(39-35(43)26-13-5-4-12-25(26)23-10-2-1-3-11-23)17-18-27(29)36(44)42-21-19-30-33(28-14-6-7-16-32(28)42)41-34(40-30)31-15-8-9-20-38-31/h1-18,20,22H,19,21H2,(H,39,43)(H,40,41)
InChIKeyMRJDDSQSPXIEMT-UHFFFAOYSA-N
MW579.64 g/mol
LogP7.40
Rot. Bonds5

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

N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide (PubChem CID 10483319) has the molecular formula C36H26FN5O2 and a molecular weight of 579.64 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
PubChem CID10483319
Molecular FormulaC36H26FN5O2
Molecular Weight579.64 g/mol
Exact Mass579.21
IUPAC NameN-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3[nH]c(-c4ccccn4)nc3-c3ccccc32)c(F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C36H26FN5O2/c37-29-22-24(39-35(43)26-13-5-4-12-25(26)23-10-2-1-3-11-23)17-18-27(29)36(44)42-21-19-30-33(28-14-6-7-16-32(28)42)41-34(40-30)31-15-8-9-20-38-31/h1-18,20,22H,19,21H2,(H,39,43)(H,40,41)
InChIKeyMRJDDSQSPXIEMT-UHFFFAOYSA-N
XLogP7.40
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.64
LogP ≤ 57.40
H-Bond Donors ≤ 52
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-dimethyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 15838539
N-[4-[2-(3-aminopropyl)-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl]phenyl]-2-phenylbenzamide
CID 11800957
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-[3-chloro-4-(4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbonyl)phenyl]-2-phenylbenzamide
CID 91077102
N-methyl-N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 118689039
2-(7-chloro-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carbonyl)-5-[(2-phenylbenzoyl)amino]benzoic acid
CID 142567405
N-[3-chloro-4-(4,5-dihydro-1H-pyrazolo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-methylbenzamide
CID 18940518
N-[3-chloro-4-(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepine-7-carbonyl)phenyl]-3-fluoro-5-methylbenzamide
CID 21469009
2-[1-[2-methoxy-4-[[2-(4-methylphenyl)benzoyl]amino]benzoyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid
CID 22405190

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The IUPAC name of 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) is N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide.
What is the SMILES notation for N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The canonical SMILES for N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide is O=C(Nc1ccc(C(=O)N2CCc3[nH]c(-c4ccccn4)nc3-c3ccccc32)c(F)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
The InChIKey is MRJDDSQSPXIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26FN5O2/c37-29-22-24(39-35(43)26-13-5-4-12-25(26)23-10-2-1-3-11-23)17-18-27(29)36(44)42-21-19-30-33(28-14-6-7-16-32(28)42)41-34(40-30)31-15-8-9-20-38-31/h1-18,20,22H,19,21H2,(H,39,43)(H,40,41).
What are the key properties of N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide?
N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide has a molecular weight of 579.64 g/mol, XLogP of 7.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide is sourced from PubChem (CID 10483319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).