N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine

C16H21N3 — CID 20590609

IUPACN-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C2C3CCC(C3)C2NC2=NCCN2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-11(5-3-1)14-12-6-7-13(10-12)15(14)19-16-17-8-9-18-16/h1-5,12-15H,6-10H2,(H2,17,18,19)
InChIKeyXFAJABLOZJXWLY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.12
Rot. Bonds2

About N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine

N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 20590609) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID20590609
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C2C3CCC(C3)C2NC2=NCCN2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-11(5-3-1)14-12-6-7-13(10-12)15(14)19-16-17-8-9-18-16/h1-5,12-15H,6-10H2,(H2,17,18,19)
InChIKeyXFAJABLOZJXWLY-UHFFFAOYSA-N
XLogP2.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine (CID 20590609) is N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine is c1ccc(C2C3CCC(C3)C2NC2=NCCN2)cc1.
What is the InChIKey of N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XFAJABLOZJXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-11(5-3-1)14-12-6-7-13(10-12)15(14)19-16-17-8-9-18-16/h1-5,12-15H,6-10H2,(H2,17,18,19).
What are the key properties of N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 20590609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).