3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine

C14H18FN3 — CID 62125231

IUPAC3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(F)cc2C)c1N
InChIInChI=1S/C14H18FN3/c1-3-4-7-18-9-17-13(14(18)16)12-6-5-11(15)8-10(12)2/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyVVUZTKVOSYPPGA-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.38
Rot. Bonds4

About 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine

3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine (PubChem CID 62125231) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
PubChem CID62125231
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(F)cc2C)c1N
InChIInChI=1S/C14H18FN3/c1-3-4-7-18-9-17-13(14(18)16)12-6-5-11(15)8-10(12)2/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyVVUZTKVOSYPPGA-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.38
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-fluoro-2-methylphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine (CID 62125231) is 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine is CCCCn1cnc(-c2ccc(F)cc2C)c1N.
What is the InChIKey of 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine?
The InChIKey is VVUZTKVOSYPPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-4-7-18-9-17-13(14(18)16)12-6-5-11(15)8-10(12)2/h5-6,8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine?
3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine has a molecular weight of 247.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 62125231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).