7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

C26H28Cl2N4 — CID 66706447

IUPAC7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCl.Clc1ccc2c(c1NCc1ccc(C3=NCC(c4ccccc4)N3)cc1)CCNCC2
InChIInChI=1S/C26H27ClN4.ClH/c27-23-11-10-19-12-14-28-15-13-22(19)25(23)29-16-18-6-8-21(9-7-18)26-30-17-24(31-26)20-4-2-1-3-5-20;/h1-11,24,28-29H,12-17H2,(H,30,31);1H
InChIKeyGUDLGTUYWNWCHY-UHFFFAOYSA-N
MW467.44 g/mol
LogP5.15
Rot. Bonds5

About 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (PubChem CID 66706447) has the molecular formula C26H28Cl2N4 and a molecular weight of 467.44 g/mol. Its IUPAC name is 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
PubChem CID66706447
Molecular FormulaC26H28Cl2N4
Molecular Weight467.44 g/mol
Exact Mass466.17
IUPAC Name7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCl.Clc1ccc2c(c1NCc1ccc(C3=NCC(c4ccccc4)N3)cc1)CCNCC2
InChIInChI=1S/C26H27ClN4.ClH/c27-23-11-10-19-12-14-28-15-13-22(19)25(23)29-16-18-6-8-21(9-7-18)26-30-17-24(31-26)20-4-2-1-3-5-20;/h1-11,24,28-29H,12-17H2,(H,30,31);1H
InChIKeyGUDLGTUYWNWCHY-UHFFFAOYSA-N
XLogP5.15
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The IUPAC name of 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (CID 66706447) is 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is Cl.Clc1ccc2c(c1NCc1ccc(C3=NCC(c4ccccc4)N3)cc1)CCNCC2.
What is the InChIKey of 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The InChIKey is GUDLGTUYWNWCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4.ClH/c27-23-11-10-19-12-14-28-15-13-22(19)25(23)29-16-18-6-8-21(9-7-18)26-30-17-24(31-26)20-4-2-1-3-5-20;/h1-11,24,28-29H,12-17H2,(H,30,31);1H.
What are the key properties of 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride has a molecular weight of 467.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is sourced from PubChem (CID 66706447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).