5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine

C18H27N3 — CID 63469094

IUPAC5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2ccc(C(C)(C)C)cc2)c1N
InChIInChI=1S/C18H27N3/c1-7-21-16(19)15(20-17(21)12(2)3)13-8-10-14(11-9-13)18(4,5)6/h8-12H,7,19H2,1-6H3
InChIKeyRXGMHUMRJSCCRC-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.57
Rot. Bonds3

About 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine

5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (PubChem CID 63469094) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
PubChem CID63469094
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2ccc(C(C)(C)C)cc2)c1N
InChIInChI=1S/C18H27N3/c1-7-21-16(19)15(20-17(21)12(2)3)13-8-10-14(11-9-13)18(4,5)6/h8-12H,7,19H2,1-6H3
InChIKeyRXGMHUMRJSCCRC-UHFFFAOYSA-N
XLogP4.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (CID 63469094) is 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is CCn1c(C(C)C)nc(-c2ccc(C(C)(C)C)cc2)c1N.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is RXGMHUMRJSCCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-21-16(19)15(20-17(21)12(2)3)13-8-10-14(11-9-13)18(4,5)6/h8-12H,7,19H2,1-6H3.
What are the key properties of 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63469094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).