3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine

C18H27N3 — CID 62220297

IUPAC3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
SMILESCCCc1nc(-c2c(C)cc(C)cc2C)c(N)n1C(C)C
InChIInChI=1S/C18H27N3/c1-7-8-15-20-17(18(19)21(15)11(2)3)16-13(5)9-12(4)10-14(16)6/h9-11H,7-8,19H2,1-6H3
InChIKeyGNTKGYKUMTWDAY-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.59
Rot. Bonds4

About 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine

3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine (PubChem CID 62220297) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
PubChem CID62220297
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
SMILESCCCc1nc(-c2c(C)cc(C)cc2C)c(N)n1C(C)C
InChIInChI=1S/C18H27N3/c1-7-8-15-20-17(18(19)21(15)11(2)3)16-13(5)9-12(4)10-14(16)6/h9-11H,7-8,19H2,1-6H3
InChIKeyGNTKGYKUMTWDAY-UHFFFAOYSA-N
XLogP4.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The IUPAC name of 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine (CID 62220297) is 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The canonical SMILES for 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine is CCCc1nc(-c2c(C)cc(C)cc2C)c(N)n1C(C)C.
What is the InChIKey of 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The InChIKey is GNTKGYKUMTWDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-8-15-20-17(18(19)21(15)11(2)3)16-13(5)9-12(4)10-14(16)6/h9-11H,7-8,19H2,1-6H3.
What are the key properties of 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine is sourced from PubChem (CID 62220297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).