3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine

C18H27N3 — CID 63468177

IUPAC3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
SMILESCCCCn1c(CCC)nc(-c2ccc(CC)cc2)c1N
InChIInChI=1S/C18H27N3/c1-4-7-13-21-16(8-5-2)20-17(18(21)19)15-11-9-14(6-3)10-12-15/h9-12H,4-8,13,19H2,1-3H3
InChIKeyPBFFJLVIVQSBAK-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.45
Rot. Bonds7

About 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine

3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine (PubChem CID 63468177) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
PubChem CID63468177
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
SMILESCCCCn1c(CCC)nc(-c2ccc(CC)cc2)c1N
InChIInChI=1S/C18H27N3/c1-4-7-13-21-16(8-5-2)20-17(18(21)19)15-11-9-14(6-3)10-12-15/h9-12H,4-8,13,19H2,1-3H3
InChIKeyPBFFJLVIVQSBAK-UHFFFAOYSA-N
XLogP4.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine (CID 63468177) is 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine is CCCCn1c(CCC)nc(-c2ccc(CC)cc2)c1N.
What is the InChIKey of 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine?
The InChIKey is PBFFJLVIVQSBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-7-13-21-16(8-5-2)20-17(18(21)19)15-11-9-14(6-3)10-12-15/h9-12H,4-8,13,19H2,1-3H3.
What are the key properties of 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine?
3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine is sourced from PubChem (CID 63468177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).