4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide

C28H26N4O2 — CID 90901640

IUPAC4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide
SMILESCc1cc(C(=O)N2CCc3nc(C)n(Cc4ccccc4)c3-c3ccccc32)ccc1C(N)=O
InChIInChI=1S/C28H26N4O2/c1-18-16-21(12-13-22(18)27(29)33)28(34)31-15-14-24-26(23-10-6-7-11-25(23)31)32(19(2)30-24)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H2,29,33)
InChIKeyAGCPHLXYISOKSZ-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.52
Rot. Bonds4

About 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide

4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide (PubChem CID 90901640) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide
PubChem CID90901640
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide
SMILESCc1cc(C(=O)N2CCc3nc(C)n(Cc4ccccc4)c3-c3ccccc32)ccc1C(N)=O
InChIInChI=1S/C28H26N4O2/c1-18-16-21(12-13-22(18)27(29)33)28(34)31-15-14-24-26(23-10-6-7-11-25(23)31)32(19(2)30-24)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H2,29,33)
InChIKeyAGCPHLXYISOKSZ-UHFFFAOYSA-N
XLogP4.52
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide with MolForge

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Related Compounds

4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide
CID 57470776
2-methyl-3-[[4-(2-methylphenyl)phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
CID 20679656
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)-2-methylbenzonitrile
CID 25179154
(4-methanimidoyl-3-methylphenyl)-(2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepin-6-yl)methanone
CID 163704512
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86982066
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
(1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone
CID 97442126
ethyl 6-(4-aminobenzoyl)-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxylate
CID 137389187
2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 43926287

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide?
The IUPAC name of 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide (CID 90901640) is 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide.
What is the SMILES notation for 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide?
The canonical SMILES for 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide is Cc1cc(C(=O)N2CCc3nc(C)n(Cc4ccccc4)c3-c3ccccc32)ccc1C(N)=O.
What is the InChIKey of 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide?
The InChIKey is AGCPHLXYISOKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-18-16-21(12-13-22(18)27(29)33)28(34)31-15-14-24-26(23-10-6-7-11-25(23)31)32(19(2)30-24)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H2,29,33).
What are the key properties of 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide?
4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide has a molecular weight of 450.54 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepine-6-carbonyl)-2-methylbenzamide is sourced from PubChem (CID 90901640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).