N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C13H19N3 — CID 3078291

IUPACN-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)Cc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C13H19N3/c1-10(2)9-11-3-5-12(6-4-11)16-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H2,14,15,16)
InChIKeyVKSYBUBFDSVUQC-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.26
Rot. Bonds3

About N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 3078291) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID3078291
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)Cc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C13H19N3/c1-10(2)9-11-3-5-12(6-4-11)16-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H2,14,15,16)
InChIKeyVKSYBUBFDSVUQC-UHFFFAOYSA-N
XLogP2.26
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 3078291) is N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is CC(C)Cc1ccc(NC2=NCCN2)cc1.
What is the InChIKey of N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is VKSYBUBFDSVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)9-11-3-5-12(6-4-11)16-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H2,14,15,16).
What are the key properties of N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 3078291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).