N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine

C18H21N3 — CID 138050000

IUPACN-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(c1ccccc1)C1CN=C(NCc2ccccc2)N1
InChIInChI=1S/C18H21N3/c1-14(16-10-6-3-7-11-16)17-13-20-18(21-17)19-12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H2,19,20,21)
InChIKeyRUEFXRJFISOPHI-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.91
Rot. Bonds4

About N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine

N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 138050000) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID138050000
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(c1ccccc1)C1CN=C(NCc2ccccc2)N1
InChIInChI=1S/C18H21N3/c1-14(16-10-6-3-7-11-16)17-13-20-18(21-17)19-12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H2,19,20,21)
InChIKeyRUEFXRJFISOPHI-UHFFFAOYSA-N
XLogP2.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 138050000) is N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine is CC(c1ccccc1)C1CN=C(NCc2ccccc2)N1.
What is the InChIKey of N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is RUEFXRJFISOPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14(16-10-6-3-7-11-16)17-13-20-18(21-17)19-12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H2,19,20,21).
What are the key properties of N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 138050000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).