1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine

C16H25N3 — CID 166326328

IUPAC1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine
SMILESCC(C)c1ccc(CNC2=NCC(C)(C)N2C)cc1
InChIInChI=1S/C16H25N3/c1-12(2)14-8-6-13(7-9-14)10-17-15-18-11-16(3,4)19(15)5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyBIFBDFOCWSZANB-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.98
Rot. Bonds3

About 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine

1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine (PubChem CID 166326328) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine.

Molecular Properties

Compound Name1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine
PubChem CID166326328
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine
SMILESCC(C)c1ccc(CNC2=NCC(C)(C)N2C)cc1
InChIInChI=1S/C16H25N3/c1-12(2)14-8-6-13(7-9-14)10-17-15-18-11-16(3,4)19(15)5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyBIFBDFOCWSZANB-UHFFFAOYSA-N
XLogP2.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine?
The IUPAC name of 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine (CID 166326328) is 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine.
What is the SMILES notation for 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine?
The canonical SMILES for 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine is CC(C)c1ccc(CNC2=NCC(C)(C)N2C)cc1.
What is the InChIKey of 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine?
The InChIKey is BIFBDFOCWSZANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)14-8-6-13(7-9-14)10-17-15-18-11-16(3,4)19(15)5/h6-9,12H,10-11H2,1-5H3,(H,17,18).
What are the key properties of 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine?
1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine is sourced from PubChem (CID 166326328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).