3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine

C17H25N3 — CID 62220345

IUPAC3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccccc2C)c1N
InChIInChI=1S/C17H25N3/c1-5-6-11-20-16(18)15(19-17(20)12(2)3)14-10-8-7-9-13(14)4/h7-10,12H,5-6,11,18H2,1-4H3
InChIKeyFUIMVIPQMRHSRR-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.36
Rot. Bonds5

About 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine

3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 62220345) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
PubChem CID62220345
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccccc2C)c1N
InChIInChI=1S/C17H25N3/c1-5-6-11-20-16(18)15(19-17(20)12(2)3)14-10-8-7-9-13(14)4/h7-10,12H,5-6,11,18H2,1-4H3
InChIKeyFUIMVIPQMRHSRR-UHFFFAOYSA-N
XLogP4.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine (CID 62220345) is 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine is CCCCn1c(C(C)C)nc(-c2ccccc2C)c1N.
What is the InChIKey of 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is FUIMVIPQMRHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-6-11-20-16(18)15(19-17(20)12(2)3)14-10-8-7-9-13(14)4/h7-10,12H,5-6,11,18H2,1-4H3.
What are the key properties of 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine?
3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62220345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).