N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine

C14H19N3 — CID 106571835

IUPACN,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
SMILESCNc1nc(C)cn1C(C)Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-11-10-17(14(15-3)16-11)12(2)9-13-7-5-4-6-8-13/h4-8,10,12H,9H2,1-3H3,(H,15,16)
InChIKeyDZVHUSWZZBPPCK-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.04
Rot. Bonds4

About N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine

N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine (PubChem CID 106571835) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
PubChem CID106571835
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
SMILESCNc1nc(C)cn1C(C)Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-11-10-17(14(15-3)16-11)12(2)9-13-7-5-4-6-8-13/h4-8,10,12H,9H2,1-3H3,(H,15,16)
InChIKeyDZVHUSWZZBPPCK-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
The IUPAC name of N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine (CID 106571835) is N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine is CNc1nc(C)cn1C(C)Cc1ccccc1.
What is the InChIKey of N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
The InChIKey is DZVHUSWZZBPPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-10-17(14(15-3)16-11)12(2)9-13-7-5-4-6-8-13/h4-8,10,12H,9H2,1-3H3,(H,15,16).
What are the key properties of N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106571835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).