4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine

C11H12F2N4 — CID 113328558

IUPAC4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2ccc(C(F)F)cc2)c(N)n1N
InChIInChI=1S/C11H12F2N4/c1-6-16-9(11(14)17(6)15)7-2-4-8(5-3-7)10(12)13/h2-5,10H,14-15H2,1H3
InChIKeyOFMIFHLXPSYYGK-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.09
Rot. Bonds2

About 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine

4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine (PubChem CID 113328558) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
PubChem CID113328558
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2ccc(C(F)F)cc2)c(N)n1N
InChIInChI=1S/C11H12F2N4/c1-6-16-9(11(14)17(6)15)7-2-4-8(5-3-7)10(12)13/h2-5,10H,14-15H2,1H3
InChIKeyOFMIFHLXPSYYGK-UHFFFAOYSA-N
XLogP2.09
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine
CID 115525205
2-methyl-4-(4-propan-2-yloxyphenyl)imidazole-1,5-diamine
CID 62483192
4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
CID 63645352
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine
CID 62482978
4-(3,5-dichlorophenyl)-2-methylimidazole-1,5-diamine
CID 62483387
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
4-(4-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62507931
5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine
CID 113328551
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-propylimidazol-4-amine
CID 115525224
6,8-dichloro-2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 115525423

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine (CID 113328558) is 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine is Cc1nc(-c2ccc(C(F)F)cc2)c(N)n1N.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine?
The InChIKey is OFMIFHLXPSYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-6-16-9(11(14)17(6)15)7-2-4-8(5-3-7)10(12)13/h2-5,10H,14-15H2,1H3.
What are the key properties of 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine?
4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine has a molecular weight of 238.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine is sourced from PubChem (CID 113328558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).