N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine

C14H19N3 — CID 106581094

IUPACN-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine
SMILESCC(C)(CCc1ccccc1)Nc1ncc[nH]1
InChIInChI=1S/C14H19N3/c1-14(2,17-13-15-10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyGULDUDDOXGKKDK-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.23
Rot. Bonds5

About N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine

N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine (PubChem CID 106581094) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine
PubChem CID106581094
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine
SMILESCC(C)(CCc1ccccc1)Nc1ncc[nH]1
InChIInChI=1S/C14H19N3/c1-14(2,17-13-15-10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyGULDUDDOXGKKDK-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
The IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine (CID 106581094) is N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine is CC(C)(CCc1ccccc1)Nc1ncc[nH]1.
What is the InChIKey of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
The InChIKey is GULDUDDOXGKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,17-13-15-10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine?
N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylbutan-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 106581094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).