N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine

C12H15N3 — CID 106571848

IUPACN-(1-phenylpropan-2-yl)-1H-imidazol-2-amine
SMILESCC(Cc1ccccc1)Nc1ncc[nH]1
InChIInChI=1S/C12H15N3/c1-10(15-12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,13,14,15)
InChIKeyWTAIEVRFXAGTPO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.45
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine

N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine (PubChem CID 106571848) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-1H-imidazol-2-amine
PubChem CID106571848
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(1-phenylpropan-2-yl)-1H-imidazol-2-amine
SMILESCC(Cc1ccccc1)Nc1ncc[nH]1
InChIInChI=1S/C12H15N3/c1-10(15-12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,13,14,15)
InChIKeyWTAIEVRFXAGTPO-UHFFFAOYSA-N
XLogP2.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine?
The IUPAC name of N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine (CID 106571848) is N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine is CC(Cc1ccccc1)Nc1ncc[nH]1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine?
The InChIKey is WTAIEVRFXAGTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(15-12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,13,14,15).
What are the key properties of N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine?
N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 106571848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).