2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine

C28H29N5 — CID 140683337

IUPAC2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCN1C=CN(c2cccc(N3c4ccccc4CCc4ccc(N5C=CN(C)C5)cc43)c2)C1
InChIInChI=1S/C28H29N5/c1-29-14-16-31(20-29)24-7-5-8-26(18-24)33-27-9-4-3-6-22(27)10-11-23-12-13-25(19-28(23)33)32-17-15-30(2)21-32/h3-9,12-19H,10-11,20-21H2,1-2H3
InChIKeyDFXCZHTVPGHTIK-UHFFFAOYSA-N
MW435.58 g/mol
LogP5.62
Rot. Bonds3

About 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine

2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 140683337) has the molecular formula C28H29N5 and a molecular weight of 435.58 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID140683337
Molecular FormulaC28H29N5
Molecular Weight435.58 g/mol
Exact Mass435.24
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCN1C=CN(c2cccc(N3c4ccccc4CCc4ccc(N5C=CN(C)C5)cc43)c2)C1
InChIInChI=1S/C28H29N5/c1-29-14-16-31(20-29)24-7-5-8-26(18-24)33-27-9-4-3-6-22(27)10-11-23-12-13-25(19-28(23)33)32-17-15-30(2)21-32/h3-9,12-19H,10-11,20-21H2,1-2H3
InChIKeyDFXCZHTVPGHTIK-UHFFFAOYSA-N
XLogP5.62
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole
CID 102428544
[9,9-dimethyl-10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]acridin-3-yl]-dimethyl-pyridin-2-ylsilane
CID 140717316
[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane
CID 59220657
4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)aniline
CID 59935116
1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole
CID 59348265
5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 70893345
10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220889
11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 22085698
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
11-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]phenyl]benzo[b][1]benzazepine
CID 100915206
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine (CID 140683337) is 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine is CN1C=CN(c2cccc(N3c4ccccc4CCc4ccc(N5C=CN(C)C5)cc43)c2)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is DFXCZHTVPGHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5/c1-29-14-16-31(20-29)24-7-5-8-26(18-24)33-27-9-4-3-6-22(27)10-11-23-12-13-25(19-28(23)33)32-17-15-30(2)21-32/h3-9,12-19H,10-11,20-21H2,1-2H3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 435.58 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)-11-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 140683337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).