1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine

C15H19F2N3 — CID 106578585

IUPAC1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N3/c1-4-5-8-20-9-11(3)18-15(20)19-14-12(16)7-6-10(2)13(14)17/h6-7,9H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyNTBRYPWBKOWHQK-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.32
Rot. Bonds5

About 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine

1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106578585) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106578585
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N3/c1-4-5-8-20-9-11(3)18-15(20)19-14-12(16)7-6-10(2)13(14)17/h6-7,9H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyNTBRYPWBKOWHQK-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine (CID 106578585) is 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1c(F)ccc(C)c1F.
What is the InChIKey of 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is NTBRYPWBKOWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-5-8-20-9-11(3)18-15(20)19-14-12(16)7-6-10(2)13(14)17/h6-7,9H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106578585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).