2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine

C16H21Cl2N3 — CID 63467471

IUPAC2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C(C)(C)C)nc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C16H21Cl2N3/c1-9(2)21-14(19)13(20-15(21)16(3,4)5)11-7-6-10(17)8-12(11)18/h6-9H,19H2,1-5H3
InChIKeyPXKUKIJTYIIKOD-UHFFFAOYSA-N
MW326.27 g/mol
LogP5.32
Rot. Bonds2

About 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine

2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 63467471) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID63467471
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C(C)(C)C)nc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C16H21Cl2N3/c1-9(2)21-14(19)13(20-15(21)16(3,4)5)11-7-6-10(17)8-12(11)18/h6-9H,19H2,1-5H3
InChIKeyPXKUKIJTYIIKOD-UHFFFAOYSA-N
XLogP5.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.27
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine (CID 63467471) is 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine is CC(C)n1c(C(C)(C)C)nc(-c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is PXKUKIJTYIIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-9(2)21-14(19)13(20-15(21)16(3,4)5)11-7-6-10(17)8-12(11)18/h6-9H,19H2,1-5H3.
What are the key properties of 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine?
2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 326.27 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63467471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).