3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine

C18H27N3 — CID 63468172

IUPAC3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2c(C)cc(C)cc2C)c1N
InChIInChI=1S/C18H27N3/c1-6-8-9-21-15(7-2)20-17(18(21)19)16-13(4)10-12(3)11-14(16)5/h10-11H,6-9,19H2,1-5H3
InChIKeyDHIFIWNJHSGJND-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.42
Rot. Bonds5

About 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine

3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine (PubChem CID 63468172) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
PubChem CID63468172
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2c(C)cc(C)cc2C)c1N
InChIInChI=1S/C18H27N3/c1-6-8-9-21-15(7-2)20-17(18(21)19)16-13(4)10-12(3)11-14(16)5/h10-11H,6-9,19H2,1-5H3
InChIKeyDHIFIWNJHSGJND-UHFFFAOYSA-N
XLogP4.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine (CID 63468172) is 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine is CCCCn1c(CC)nc(-c2c(C)cc(C)cc2C)c1N.
What is the InChIKey of 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The InChIKey is DHIFIWNJHSGJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-8-9-21-15(7-2)20-17(18(21)19)16-13(4)10-12(3)11-14(16)5/h10-11H,6-9,19H2,1-5H3.
What are the key properties of 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine is sourced from PubChem (CID 63468172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).