5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine

C13H15F2N3 — CID 115528257

IUPAC5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2cccc(C(F)F)c2)c1N
InChIInChI=1S/C13H15F2N3/c1-8(2)18-7-17-11(13(18)16)9-4-3-5-10(6-9)12(14)15/h3-8,12H,16H2,1-2H3
InChIKeyZHLMFNOBFUXLQC-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.65
Rot. Bonds3

About 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine

5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine (PubChem CID 115528257) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine
PubChem CID115528257
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2cccc(C(F)F)c2)c1N
InChIInChI=1S/C13H15F2N3/c1-8(2)18-7-17-11(13(18)16)9-4-3-5-10(6-9)12(14)15/h3-8,12H,16H2,1-2H3
InChIKeyZHLMFNOBFUXLQC-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-cyclopropylphenyl)-3-propan-2-ylimidazol-4-amine
CID 79980676
5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62018105
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62019586
5-[4-(dimethylamino)phenyl]-3-propan-2-ylimidazol-4-amine
CID 62017166
5-(2-methylquinolin-6-yl)-3-propan-2-ylimidazol-4-amine
CID 105379309
5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 115528289
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
1-[5-amino-4-(3-bromophenyl)imidazol-1-yl]ethyl formate
CID 174800380
3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine
CID 112559313
5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine
CID 62390199
4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine
CID 115528326

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine (CID 115528257) is 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine is CC(C)n1cnc(-c2cccc(C(F)F)c2)c1N.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine?
The InChIKey is ZHLMFNOBFUXLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8(2)18-7-17-11(13(18)16)9-4-3-5-10(6-9)12(14)15/h3-8,12H,16H2,1-2H3.
What are the key properties of 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine?
5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine has a molecular weight of 251.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 115528257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).