N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C11H11F3N4 — CID 63295527

IUPACN-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCn1ccnc1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N4/c1-18-5-4-15-10(18)7-17-9-3-2-8(6-16-9)11(12,13)14/h2-6H,7H2,1H3,(H,16,17)
InChIKeyKCJSVYSVYFPGDA-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.45
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 63295527) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID63295527
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCn1ccnc1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N4/c1-18-5-4-15-10(18)7-17-9-3-2-8(6-16-9)11(12,13)14/h2-6H,7H2,1H3,(H,16,17)
InChIKeyKCJSVYSVYFPGDA-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63295615
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718474
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64530498
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
4-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 79175761
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
N-[(1-methylimidazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 62357263
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 63295527) is N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cn1ccnc1CNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KCJSVYSVYFPGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-18-5-4-15-10(18)7-17-9-3-2-8(6-16-9)11(12,13)14/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 256.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63295527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).