N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine

C13H18N4 — CID 23342921

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine
SMILESc1ccc2c(c1)CCN(NC1=NCCN1)CC2
InChIInChI=1S/C13H18N4/c1-2-4-12-6-10-17(9-5-11(12)3-1)16-13-14-7-8-15-13/h1-4H,5-10H2,(H2,14,15,16)
InChIKeyIZOZFSKJWPKZBB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.55
Rot. Bonds1

About N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine (PubChem CID 23342921) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine
PubChem CID23342921
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine
SMILESc1ccc2c(c1)CCN(NC1=NCCN1)CC2
InChIInChI=1S/C13H18N4/c1-2-4-12-6-10-17(9-5-11(12)3-1)16-13-14-7-8-15-13/h1-4H,5-10H2,(H2,14,15,16)
InChIKeyIZOZFSKJWPKZBB-UHFFFAOYSA-N
XLogP0.55
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-amine
CID 101028690
N-(4,5-dihydro-1H-imidazol-2-yl)indazol-2-amine
CID 24882093
N-(4,5-dihydro-1H-imidazol-2-yl)indazol-1-amine;hydrochloride
CID 24882006
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 114401771
N-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 5242373
2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 82248781
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-1-amine
CID 24882106
N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 24936510
N-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 58361122

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine (CID 23342921) is N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine is c1ccc2c(c1)CCN(NC1=NCCN1)CC2.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine?
The InChIKey is IZOZFSKJWPKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-4-12-6-10-17(9-5-11(12)3-1)16-13-14-7-8-15-13/h1-4H,5-10H2,(H2,14,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-amine is sourced from PubChem (CID 23342921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).