1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine

C15H19F2N3O — CID 106561131

IUPAC1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2N3O/c1-3-4-9-20-10-11(2)18-15(20)19-12-5-7-13(8-6-12)21-14(16)17/h5-8,10,14H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyJPPRTHMBMKDGRH-UHFFFAOYSA-N
MW295.33 g/mol
LogP4.34
Rot. Bonds7

About 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine

1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine (PubChem CID 106561131) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
PubChem CID106561131
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2N3O/c1-3-4-9-20-10-11(2)18-15(20)19-12-5-7-13(8-6-12)21-14(16)17/h5-8,10,14H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyJPPRTHMBMKDGRH-UHFFFAOYSA-N
XLogP4.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106561159
1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
CID 106564087
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
CID 106560821
4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine
CID 106571675
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine (CID 106561131) is 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine?
The InChIKey is JPPRTHMBMKDGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-4-9-20-10-11(2)18-15(20)19-12-5-7-13(8-6-12)21-14(16)17/h5-8,10,14H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine?
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine has a molecular weight of 295.33 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106561131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).