3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine

C14H17F3N4 — CID 114706948

IUPAC3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H17F3N4/c1-9(2)5-11(18)12-7-19-8-21(12)10-3-4-13(20-6-10)14(15,16)17/h3-4,6-9,11H,5,18H2,1-2H3
InChIKeyRTORNKXWJMVPDM-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.33
Rot. Bonds4

About 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine

3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine (PubChem CID 114706948) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine
PubChem CID114706948
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H17F3N4/c1-9(2)5-11(18)12-7-19-8-21(12)10-3-4-13(20-6-10)14(15,16)17/h3-4,6-9,11H,5,18H2,1-2H3
InChIKeyRTORNKXWJMVPDM-UHFFFAOYSA-N
XLogP3.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114223411
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703108
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine (CID 114706948) is 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine?
The InChIKey is RTORNKXWJMVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-9(2)5-11(18)12-7-19-8-21(12)10-3-4-13(20-6-10)14(15,16)17/h3-4,6-9,11H,5,18H2,1-2H3.
What are the key properties of 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114706948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).